SCHEMBL2951325

SCHEMBL2951325

COC(=O)c1ccc(N2CCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
HDAC6 Q9UBN7 1/20 0.61
RAB9A P51151 10/20 0.57
MAPT P10636 7/20 0.57
KMT2A Q03164 5/20 0.57
MCL1 Q07820 2/20 0.57
NR4A1 P22736 1/20 0.57
NPC1 O15118 9/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
KDM4E B2RXH2 4/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HPGD P15428 3/20 0.56
TP53 P04637 2/20 0.56
TSHR P16473 2/20 0.56
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ALOX15 P16050 2/20 0.56
HSD17B10 Q99714 2/20 0.56
STAT1 P42224 1/20 0.56
GLA P06280 1/20 0.55

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
SCHEMBL5742108 0.98 ALDH1A1 (0.69) ALDH1A1HDAC6RAB9AMAPTKMT2A
SCHEMBL20897465 0.96 ALDH1A1 (0.71) ALDH1A1HDAC6RAB9AMAPTKMT2A
SCHEMBL7341735 0.91 ALDH1A1 (0.60) ALDH1A1HDAC6RAB9AMAPTKMT2A
SCHEMBL20898181 0.90 ALDH1A1 (0.63) ALDH1A1HDAC6RAB9AMAPTKMT2A
SCHEMBL21371829 0.88 TSHR (0.58) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL64153 0.87 ALDH1A1 (0.64) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL65696 0.86 ALDH1A1 (0.71) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL1063179 0.86 ALDH1A1 (0.67) ALDH1A1HDAC6RAB9AMAPTKMT2A
SCHEMBL22513663 0.85 ALDH1A1 (0.55) ALDH1A1HDAC6RAB9AMAPTKMT2A
SCHEMBL10861127 0.85 ALDH1A1 (0.65) ALDH1A1RAB9AMAPTKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020168017-A1 COMPOSITIONS CONTAINING, METHODS AND USES OF ANTIBODY-TLR AGONIST CONJUGATES AMBRX, INC. (US) 2020-08-20 WO disclosed
US-10274874-B2 Intermediate transfer member, method for producing intermediate transfer member, and image forming apparatus Konica Minolta, Inc. (JP) 2019-04-30 US disclosed
US-20180136590-A1 INTERMEDIATE TRANSFER MEMBER, METHOD FOR PRODUCING INTERMEDIATE TRANSFER MEMBER, AND IMAGE FORMING APPARATUS Konica Minolta, Inc. (JP) 2018-05-17 US disclosed
US-20180136590-A1 INTERMEDIATE TRANSFER MEMBER, METHOD FOR PRODUCING INTERMEDIATE TRANSFER MEMBER, AND IMAGE FORMING APPARATUS Konica Minolta, Inc. (JP) 2018-05-17 US disclosed
EP-2233469-B1 Method for coupling halogen-substituted aromatic substances with trialkylsilyl-substituted heteroatom-containing organic compounds ZYLUM BETEILIGUNGSGMBH & CO PATENTE II KG (DE) 2012-07-18 EP disclosed
US-20120142937-A1 METHOD FOR COUPLING HALOGEN-SUBSTITUTED AROMATIC COMPOUNDS WITH ORGANIC COMPOUNDS COMPRISING TRIALKYLSILYL-SUBSTITUTED HETEROATOMS ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2012-06-07 US disclosed
US-20120142937-A1 METHOD FOR COUPLING HALOGEN-SUBSTITUTED AROMATIC COMPOUNDS WITH ORGANIC COMPOUNDS COMPRISING TRIALKYLSILYL-SUBSTITUTED HETEROATOMS ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2012-06-07 US disclosed
EP-2233469-A1 Method for coupling halogen-substituted aromatic substances with trialkylsilyl-substituted heteroatom-containing organic compounds Zylum Beteiligungsgesellschaft mbH & Co. Patente II KG (DE) 2010-09-29 EP disclosed
WO-2010106078-A1 METHOD FOR COUPLING HALOGEN-SUBSTITUTED AROMATIC COMPOUNDS WITH ORGANIC COMPOUNDS COMPRISING TRIALKYLSILYL-SUBSTITUTED HETEROATOMS ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2010-09-23 WO disclosed
US-7754886-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-13 US disclosed
EP-1358183-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2006-04-12 EP disclosed
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP disclosed
US-20050070598-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2005-03-31 US disclosed
US-20040229915-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2004-11-18 US disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
EP-1358183-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2003-11-05 EP disclosed
US-20030186962-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2003-10-02 US disclosed
WO-2002088106-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2002-11-07 WO disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 US 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 (6 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ALDH1A1 2651/4885HDAC6 803/4885RAB9A 4211/4885
US-20030186962-A1 Cysteine protease inhibitors C1R, CTSS, CTSZ ALDH1A1 3348/4885HDAC6 215/4885RAB9A 454/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS ALDH1A1 3475/4885HDAC6 162/4885RAB9A 1291/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ALDH1A1 2460/4885HDAC6 578/4885RAB9A 3769/4885
US-20120142937-A1 METHOD FOR COUPLING HALOGEN-SUBSTITUTED AROMATIC COMPOUNDS WITH ORGANIC COMPOUNDS COMPRISING TRIALKYLSILYL-SUBSTITUTED HETEROATOMS TYR, ALK, TTL ALDH1A1 2734/4885HDAC6 3256/4885RAB9A 1260/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK ALDH1A1 3118/4885HDAC6 291/4885RAB9A 585/4885

“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.