SCHEMBL645267

SCHEMBL645267

COc1ccccc1-c1nnc(SCc2ccccn2)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.63
NPC1 O15118 3/20 0.63
LMNA P02545 2/20 0.63
CYP1A2 P05177 6/20 0.48
CYP2C9 P11712 6/20 0.48
CYP2E1 P05181 5/20 0.48
CYP2C8 P10632 5/20 0.48
CYP2D6 P10635 5/20 0.48
CYP2B6 P20813 5/20 0.48
CYP2C19 P33261 5/20 0.48
CYP3A4 P08684 5/20 0.48
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
PDE5A O76074 2/20 0.44

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
SCHEMBL6015585 0.91 NPC1 (0.53) RAB9ANPC1LMNACYP1A2CYP2C9
SCHEMBL6015589 0.88 CYP1A2 (0.52) RAB9ANPC1LMNACYP1A2CYP2C9
SCHEMBL6015582 0.88 CYP1A2 (0.57) RAB9ANPC1LMNACYP1A2CYP2C9
SCHEMBL6015602 0.86 NPC1 (0.47) RAB9ANPC1LMNACYP1A2CYP2C9
SCHEMBL6015584 0.81 CYP1A2 (0.48) RAB9ANPC1LMNACYP1A2CYP2C9
SCHEMBL6015605 0.81 CYP1A2 (0.57) RAB9ANPC1LMNACYP1A2CYP2C9
SCHEMBL6015609 0.81 RAB9A (0.57) RAB9ANPC1LMNACYP1A2CYP2C9
SCHEMBL6015592 0.78 KDM4E (0.52) RAB9ANPC1LMNACYP1A2CYP2C9
SCHEMBL14778500 0.77 NPC1 (0.65) RAB9ANPC1LMNACYP1A2CYP2C9
SCHEMBL1528569 0.77 NPC1 (1.00) RAB9ANPC1LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164329-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION The Burnham Institute for Medical Research (US) 2010-03-24 EP claimed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US claimed
WO-2009017863-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-05 WO claimed
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION Sanford-Burnham Medical Research Institute California 2012-04-19 US disclosed
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION Sanford-Burnham Medical Research Institute California 2012-04-19 US disclosed
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION Sanford-Burnham Medical Research Institute California 2012-04-19 US disclosed
EP-2433496-A1 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification Burnham Institute for Medical Research (US) 2012-03-28 EP disclosed
US-8119693-B2 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-21 US disclosed
US-8119693-B2 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-21 US disclosed
US-8119693-B2 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-21 US disclosed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US disclosed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US disclosed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US disclosed
WO-2009017863-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-05 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-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI RAB9A 3655/4885NPC1 2886/4885LMNA 2775/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI RAB9A 3655/4885NPC1 2886/4885LMNA 2775/4885

“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.