SCHEMBL636601

SCHEMBL636601

COc1cc(CC(=O)O)c([N+](=O)[O-])cc1OC

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
NPC1 O15118 3/20 0.64
ALDH1A1 P00352 6/20 0.61
CYP3A4 P08684 3/20 0.59
CYP2C19 P33261 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.57
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
CYP1A2 P05177 2/20 0.56
CTSD P07339 3/20 0.54
MAPT P10636 1/20 0.53
CYP2D6 P10635 1/20 0.52
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL16418161 0.92 RAB9A (0.56) RAB9ASMN1; SMN2NPC1ALDH1A1CYP3A4
SCHEMBL16418160 0.92 RAB9A (0.56) RAB9ASMN1; SMN2NPC1ALDH1A1CYP3A4
SCHEMBL9191298 0.89 RAB9A (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1CYP3A4
SCHEMBL1146111 0.89 RAB9A (0.52) RAB9ASMN1; SMN2NPC1ALDH1A1CYP3A4
SCHEMBL28074773 0.87 RAB9A (0.64) RAB9ASMN1; SMN2NPC1ALDH1A1CYP3A4
SCHEMBL7821883 0.86 ALDH1A1 (0.68) RAB9ASMN1; SMN2NPC1ALDH1A1CYP3A4
SCHEMBL6572119 0.86 RAB9A (0.63) RAB9ASMN1; SMN2NPC1ALDH1A1CYP3A4
SCHEMBL13398677 0.85 HSD17B10 (0.49) RAB9ASMN1; SMN2NPC1ALDH1A1CYP3A4
SCHEMBL27512815 0.85 RAB9A (0.59) RAB9ASMN1; SMN2NPC1ALDH1A1CYP3A4
SCHEMBL5788249 0.84 RAB9A (0.56) RAB9ASMN1; SMN2NPC1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017848-A2 NUCLEIC ACID SEQUENCE ANALYSIS Medical Biosystems Ltd. (GB) 2000-07-12 EP claimed
WO-1999005315-A2 NUCLEIC ACID SEQUENCE ANALYSIS MEDICAL BIOSYSTEMS LTD. (GB) 1999-02-04 WO claimed
WO-2024152995-A1 MACROCYCLIC CYCLIN INHIBITORS AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 上海海量医药科技有限公司 2024-07-25 WO disclosed
US-20210060168-A1 ASIALOGLYCOPROTEIN RECEPTOR MEDIATED DELIVERY OF THERAPEUTICALLY ACTIVE CONJUGATES ARCTURUS THERAPEUTICS, INC. 2021-03-04 US disclosed
EP-3413921-A1 SITE-SELECTIVE FUNCTIONALIZATION OF PROTEINS USING TRACELESS AFFINITY LABLES Krantz, Alexander (US) 2018-12-19 EP disclosed
WO-2017139329-A1 SITE-SELECTIVE FUNCTIONALIZATION OF PROTEINS USING TRACELESS AFFINITY LABLES KRANTZ ALEXANDER (US) 2017-08-17 WO disclosed
EP-2267165-B1 Nucleic acid sequence analysis GEN PROBE INC (US) 2016-11-30 EP disclosed
EP-2267164-B1 Nucleic acid sequence analysis GEN PROBE INC (US) 2016-09-14 EP disclosed
EP-1229133-B1 Apparatus for nucleic acid sequence analysis GEN PROBE INC (US) 2016-03-09 EP disclosed
CN-103230389-A Novel nitrocatechol derivatives having selectin ligand activity REVOTAR BIOPHARMACEUTICALS AG 2013-08-07 CN disclosed
CN-101374508-B Novel nitrocatechol derivatives having selectin ligand activity REVOTAR BIOPHARMACEUTICALS AG 2013-04-24 CN disclosed
EP-0447118-B1 3-tetrazolylthiomethyl cephalosporin antibiotics ZENECA PHARMA SA (FR) 1995-12-13 EP disclosed
EP-0624584-A1 Piperazine derivatives useful as calmodolin inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-11-17 EP disclosed
US-5200404-A Bactericides ICI PHARMA (FR) 1993-04-06 US disclosed
EP-0447118-A2 3-tetrazolylthiomethyl cephalosporin antibiotics ZENECA Pharma S.A. (FR) 1991-09-18 EP disclosed
EP-0146787-B1 INDOLE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1988-08-17 EP disclosed
US-4616011-A BRADYCARDIAL AND ANTIISCHEMIC AGENTS; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1986-10-07 US disclosed
US-4584293-A LOWER HEART RATE AND OXYGEN REQUIREMENT DR. KARL THOMAE GMBH (DE) 1986-04-22 US disclosed
EP-0161604-A2 Aminotetralin derivatives, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1985-11-21 EP disclosed
EP-0146787-A2 Indole derivatives, medicaments containing these compounds, and process for their preparation Dr. Karl Thomae GmbH (DE) 1985-07-03 EP 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 (1 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-20210060168-A1 ASIALOGLYCOPROTEIN RECEPTOR MEDIATED DELIVERY OF THERAPEUTICALLY ACTIVE CONJUGATES ASGR1, FCGR2A, FCGR3B RAB9A 1401/4885SMN1; SMN2 3266/4885NPC1 444/4885

“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.