SCHEMBL9607653

SCHEMBL9607653

[C-]#[N+]c1ccc(Oc2ncnc(Cl)c2OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 2/20 0.37
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
APEX1 P27695 1/20 0.34
KDR P35968 2/20 0.34
LCK P06239 2/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 2/20 0.33
EGFR P00533 1/20 0.33
MAPK1 P28482 2/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6919277 0.81 ALDH1A1 (0.46) LMNAALDH1A1SMN1; SMN2RAB9ACYP2C9
SCHEMBL6918371 0.77 MAPK1 (0.43) LMNAALDH1A1SMN1; SMN2RAB9ACYP2C9
SCHEMBL9607636 0.74 TTBK1 (0.45) LMNASMN1; SMN2RAB9AKDREGFR
SCHEMBL9044468 0.72 ALDH1A1 (0.39) LMNAALDH1A1SMN1; SMN2RAB9ALCK
SCHEMBL1748605 0.71 ALDH1A1 (0.56) LMNAALDH1A1SMN1; SMN2RAB9ACYP2C9
SCHEMBL15155123 0.70 GALR3 (0.51) LMNAALDH1A1SMN1; SMN2RAB9ACYP2C9
SCHEMBL8419304 0.70 ENPP1 (0.45) LMNAALDH1A1SMN1; SMN2RAB9ACYP2C9
SCHEMBL1232178 0.68 TRPA1 (0.51) LMNAALDH1A1SMN1; SMN2RAB9ACYP2C9
SCHEMBL29072754 0.68 ALDH1A1 (0.35) LMNAALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL30117115 0.68 ALDH1A1 (0.35) LMNAALDH1A1SMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2012-05-31 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 (1 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-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS F9, F8, F12 LMNA 1461/4885ALDH1A1 569/4885SMN1; SMN2 3437/4885

“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.