SCHEMBL12985463

SCHEMBL12985463

O=[N+]([O-])c1ccc2[nH]c(-c3cccs3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.57
NPC1 O15118 7/20 0.57
RAB9A P51151 7/20 0.57
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 4/20 0.57
HPGD P15428 3/20 0.57
HSD17B10 Q99714 2/20 0.57
MAPT P10636 10/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
HTT P42858 5/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
HCRTR1 O43613 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL1903020 0.84 LMNA (0.62) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL27310027 0.80 KMT2A (0.57) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL4497810 0.79 NPBWR1 (0.65) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL8344521 0.78 NPBWR1 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL2308775 0.78 NPBWR1 (0.79) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL4814783 0.78 RAB9A (0.60) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL5566197 0.77 NPC1 (0.78) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL28761269 0.77 RAB9A (0.80) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL30343723 0.77 NPC1 (0.80) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL14447534 0.77 NPC1 (0.80) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362072-B2 BRCA1-based breast or ovarian cancer treatment agents and methods of use UNIVERSITY OF KANSAS (US) 2013-01-29 US disclosed
US-8362072-B2 BRCA1-based breast or ovarian cancer treatment agents and methods of use UNIVERSITY OF KANSAS (US) 2013-01-29 US disclosed
US-8362072-B2 BRCA1-based breast or ovarian cancer treatment agents and methods of use UNIVERSITY OF KANSAS (US) 2013-01-29 US disclosed
US-20120259005-A1 BRCA1-Based Breast or Ovarian Cancer Prevention Agents and Methods of Use UNIVERSITY OF KANSAS (US) 2012-10-11 US disclosed
US-20120259005-A1 BRCA1-Based Breast or Ovarian Cancer Prevention Agents and Methods of Use UNIVERSITY OF KANSAS (US) 2012-10-11 US disclosed
US-20120259005-A1 BRCA1-Based Breast or Ovarian Cancer Prevention Agents and Methods of Use UNIVERSITY OF KANSAS (US) 2012-10-11 US disclosed
US-20090170842-A1 BRCA1-BASED BREAST OR OVARIAN CANCER PREVENTION AGENTS AND METHODS OF USE UNIVERSITY OF KANSAS (US) 2009-07-02 US disclosed
US-20090170842-A1 BRCA1-BASED BREAST OR OVARIAN CANCER PREVENTION AGENTS AND METHODS OF USE UNIVERSITY OF KANSAS (US) 2009-07-02 US disclosed
WO-2009065028-A2 BRCA1-BASED BREAST OR OVARIAN CANCER PREVENTION AGENTS AND METHODS OF USE UNIVERSITY OF KANSAS (US) 2009-05-22 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 (2 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-20120259005-A1 BRCA1-Based Breast or Ovarian Cancer Prevention Agents and Methods of Use BRCA1, BRAP, BCCIP SMN1; SMN2 1456/4885NPC1 626/4885RAB9A 2880/4885
US-20090170842-A1 BRCA1-BASED BREAST OR OVARIAN CANCER PREVENTION AGENTS AND METHODS OF USE BRCA1, BRAP, BCCIP SMN1; SMN2 1492/4885NPC1 614/4885RAB9A 2889/4885

“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.