SCHEMBL19853587

SCHEMBL19853587

COc1ccc(Cc2ccc(C)nc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.42
PLA2G7 Q13093 1/20 0.41
SYK P43405 1/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRM2 Q14416 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL10242538 0.83 LTA4H (0.55) PLA2G7ALDH1A1POLBCYP1A2CYP3A4
SCHEMBL435691 0.80
SCHEMBL23742238 0.77 APP (0.44) MBOAT4ALDH1A1POLBATML3MBTL1
SCHEMBL17664105 0.77 MEN1 (0.40) MBOAT4PLA2G7ALDH1A1POLBKDM4E
SCHEMBL9544209 0.77 CA12 (0.43) MAPTPDE10A
SCHEMBL18641217 0.75 LTA4H (0.46) ALDH1A1POLBHPGDATMLMNA
SCHEMBL18525554 0.75 CYP11B1 (0.47) ALDH1A1POLBCYP3A4HPGDL3MBTL1
SCHEMBL18666584 0.75 MAOB (0.51) ALDH1A1POLBHPGDATMLMNA
SCHEMBL16838833 0.75 APP (0.56) POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL18640992 0.74 MAOB (0.54) ALDH1A1POLBHPGDATMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 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 (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-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 MBOAT4 3526/4885PLA2G7 176/4885SYK 2090/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 MBOAT4 3526/4885PLA2G7 176/4885SYK 2090/4885

“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.