SCHEMBL10000101

SCHEMBL10000101

c1ccc(C(c2ccc[nH]2)c2cccc3cccnc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.39
COPS5 Q92905 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
RCE1 Q9Y256 2/20 0.38
P4HB P07237 1/20 0.38
TP53 P04637 3/20 0.37
HIF1A Q16665 3/20 0.37
CYP2D6 P10635 2/20 0.37
MMP2 P08253 2/20 0.37
TSHR P16473 2/20 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
SCHEMBL13247043 0.88 CFTR (0.43) PSMD14COPS5MAPTLMNASMN1; SMN2
SCHEMBL14723655 0.85 MAPT (0.40) PSMD14COPS5MAPTLMNASMN1; SMN2
SCHEMBL701285 0.81 ADRA2A (0.47) PSMD14COPS5TP53CYP2D6TSHR
SCHEMBL10000105 0.80 KDM4E (0.40) MAPTLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL9864313 0.78 PSMD14 (0.42) PSMD14COPS5MAPTLMNASMN1; SMN2
SCHEMBL16060314 0.73 SLC6A3 (0.65) MAPTLMNATDP1RAB9AALDH1A1
SCHEMBL270836 0.73 SLC6A2 (0.44) KMT2ATSHRSLC6A2SLC6A4SLC6A3
SCHEMBL5865581 0.73 KMT2A (0.47) KMT2ATSHRSLC6A2SLC6A4SLC6A3
SCHEMBL3021830 0.72 ADRA2A (0.43) ALDH1A1MEN1MAPK1KMT2ATP53
SCHEMBL16154377 0.71 PSMD14 (0.47) PSMD14COPS5MAPTLMNASMN1; SMN2

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-8124774-B2 Therapeutic ((phenyl)imidazolyl)methylquinolinyl compounds ALLERGAN, INC. (US) 2012-02-28 US disclosed
US-20100197729-A1 THERAPEUTIC ((PHENYL)IMIDAZOLYL)METHYLQUINOLINYL COMPOUNDS ALLERDAN, INC. (US) 2010-08-05 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-20100197729-A1 THERAPEUTIC ((PHENYL)IMIDAZOLYL)METHYLQUINOLINYL COMPOUNDS GOT2, COQ8A, OAT PSMD14 3542/4885COPS5 965/4885MAPT 623/4885

“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.