SCHEMBL9543244

SCHEMBL9543244

O=C(O)CCNOCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KEAP1 Q14145 1/20 0.48
FFAR1 O14842 3/20 0.47
FFAR4 Q5NUL3 1/20 0.47
HRAS P01112 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9504635 0.89 HTT (0.62) HTTNPC1RAB9AKEAP1FFAR1
SCHEMBL3424944 0.86 HTT (0.55) HTTNPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL9157683 0.86 ALDH1A1 (0.52) HTTNPC1RAB9AHRASSMN1; SMN2
SCHEMBL10824461 0.84 ALDH1A1 (0.54) HTTNPC1RAB9AHRASMAPK1
SCHEMBL1160560 0.81 NPC1 (0.55) HTTNPC1RAB9AHRASMAPK1
SCHEMBL18241200 0.80 LTA4H (0.51) NPC1RAB9ASMN1; SMN2LTA4HALDH1A1
SCHEMBL14729256 0.79 NPC1 (0.43) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL8150074 0.79 HRAS (0.50) HTTNPC1RAB9AHRASSMN1; SMN2
SCHEMBL8989372 0.76 NPC1 (0.59) HTTNPC1RAB9AKEAP1FFAR1
SCHEMBL1829762 0.76 NPC1 (0.50) NPC1RAB9AHRASSMN1; SMN2ADRA1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-05 US disclosed
US-20210393790-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-12-23 US disclosed
US-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-12-02 US disclosed
US-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-06-10 US disclosed
US-20210032286-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2021-02-04 US disclosed
US-20210024574-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2021-01-28 US disclosed
US-10894807-B2 PSMA imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2021-01-19 US disclosed
US-20200377549-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2020-12-03 US disclosed
US-20200095217-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-03-26 US disclosed
US-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-03-05 US disclosed
US-20160340328-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-11-24 US disclosed
US-20160340328-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-11-24 US disclosed
US-20160340328-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-11-24 US disclosed
EP-3092233-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2016-11-16 EP disclosed
US-20160304555-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2016-10-20 US disclosed
US-20150314017-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD (CN) 2015-11-05 US disclosed
WO-2015104684-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-07-16 WO disclosed
WO-2013028664-A1 PSMA IMAGING AGENTS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-02-28 WO disclosed
US-7332485-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP (US) 2008-02-19 US disclosed
WO-1993000327-A1 LINEAR HYDROXAMATES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR TREATMENT OF IRON AND ALUMINIUM OVERLOAD YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1993-01-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10894807-B2 PSMA imaging agents FOLH1, KLK3, PSMA2 HTT 4490/4885NPC1 661/4885RAB9A 1005/4885
US-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 HTT 4183/4885NPC1 1637/4885RAB9A 1610/4885
US-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 HTT 4183/4885NPC1 1637/4885RAB9A 1610/4885
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 HTT 4183/4885NPC1 1637/4885RAB9A 1610/4885
US-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES PBDC1, BRD2, CD79B HTT 3654/4885NPC1 3841/4885RAB9A 1470/4885
US-20200095217-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE BMP1, BMPR1A, BMPR2 HTT 756/4885NPC1 1968/4885RAB9A 745/4885
US-20160340328-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE BMP1, BMPR1A, BMPR2 HTT 756/4885NPC1 1968/4885RAB9A 745/4885
US-20210393790-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 HTT 4183/4885NPC1 1637/4885RAB9A 1610/4885
US-20200377549-A1 PSMA Imaging Agents FOLH1, KLK3, PSMA2 HTT 4490/4885NPC1 661/4885RAB9A 1005/4885
US-20210032286-A1 PSMA Imaging Agents FOLH1, KLK3, PSMA2 HTT 4490/4885NPC1 661/4885RAB9A 1005/4885
US-20150314017-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE CD74, CD2, EPCAM HTT 4074/4885NPC1 4492/4885RAB9A 3489/4885
US-20210024574-A1 PSMA Imaging Agents FOLH1, KLK3, PSMA2 HTT 4490/4885NPC1 661/4885RAB9A 1005/4885
US-20160304555-A1 PSMA Imaging Agents FOLH1, KLK3, PSMA2 HTT 4490/4885NPC1 661/4885RAB9A 1005/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.