SCHEMBL2631723

SCHEMBL2631723

CCOc1ncnc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.73
CYP1A2 P05177 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2C19 P33261 1/20 0.73
L3MBTL1 Q9Y468 3/20 0.62
NPC1 O15118 2/20 0.62
TSHR P16473 2/20 0.62
LMNA P02545 1/20 0.57
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL27374633 0.81 RAB9A (0.64) RAB9ACYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL27294581 0.81 RAB9A (0.64) RAB9ACYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL8545058 0.81 RAB9A (0.80) RAB9ACYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL24225598 0.80 RAB9A (0.57) RAB9ACYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL7053228 0.80 RAB9A (0.56) RAB9ACYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL30117773 0.80 RAB9A (0.56) RAB9ACYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL27299274 0.80 RAB9A (0.55) RAB9ACYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL8542741 0.80 RAB9A (0.78) RAB9ACYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL3635988 0.79 EGFR (0.62) RAB9ACYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL30869954 0.78 RAB9A (0.68) RAB9ACYP1A2CYP2C9CYP2C19L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20090053192-A1 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-26 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 (3 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 3655/4885CYP1A2 3764/4885CYP2C9 3684/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI RAB9A 3655/4885CYP1A2 3764/4885CYP2C9 3684/4885
US-20090053192-A1 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF ALPL, ALPP, ACP3 RAB9A 3107/4885CYP1A2 4516/4885CYP2C9 4795/4885

“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.