SCHEMBL4383737

SCHEMBL4383737

O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCCc2cccc(Cl)c2)c[nH]1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.58
HIF1A Q16665 1/20 0.43
GAA P10253 2/20 0.42
TP53 P04637 1/20 0.42
ALOX12 P18054 1/20 0.42
CNR1 P21554 1/20 0.42
HTT P42858 1/20 0.42
CSNK1D P48730 1/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SGMS1 Q86VZ5 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL13788064 0.91 TRPV1 (0.46) TRPV1SGMS1SMN1; SMN2ALDH1A1
SCHEMBL283213 0.84 TRPV1 (0.58) TRPV1HIF1AGAATP53ALOX12
SCHEMBL2171605 0.84 TRPV1 (0.58) TRPV1HIF1AGAATP53ALOX12
SCHEMBL2173420 0.83 TRPV1 (0.60) TRPV1HIF1AGAATP53ALOX12
SCHEMBL2173918 0.78 ALDH1A1 (0.42) GAAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL2172312 0.77 KDM4E (0.48) TRPV1HIF1AGAACNR1HTT
SCHEMBL2171648 0.77 TRPV1 (0.56) TRPV1HIF1AGAATP53CNR1
SCHEMBL2173517 0.75 HIF1A (0.54) TRPV1HIF1AGAACNR1HTT
SCHEMBL2173445 0.74 TRPV1 (0.53) TRPV1HIF1AHTTCSNK1DSMN1; SMN2
SCHEMBL2173603 0.74 SGMS1 (0.49) TRPV1HIF1ATP53SGMS1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US claimed
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE ALK, BCL3, MCL1 TRPV1 3477/4885HIF1A 1345/4885GAA 2105/4885

“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.