SCHEMBL2399539

SCHEMBL2399539

Clc1cc(Oc2cc[c]cc2)cc(Cl)c1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALOX5 P09917 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
S1PR1 P21453 1/20 0.38
PRKX P51817 1/20 0.38
ACVR1 Q04771 1/20 0.38
S1PR5 Q9H228 1/20 0.38
HTT P42858 1/20 0.38
MAOB P27338 5/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL2395569 0.83 NPC1 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL2262271 0.79 LMNA (0.58) SMN1; SMN2ALOX5MAOBRAB9AGAA
SCHEMBL2265075 0.77 MAOB (0.58) ALOX5MAOB
SCHEMBL8405445 0.76 FFAR1 (0.49) KDM4EMAOBTHRBTHRALMNA
SCHEMBL29202172 0.76 MRGPRX4 (0.52) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4050995 0.75 MEN1 (0.43) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL76993 0.75 LMNA (0.61) SMN1; SMN2ALOX5MAOBRAB9AGAA
SCHEMBL1283846 0.74 FFAR1 (0.58) SMN1; SMN2MAOBRAB9AGAAMAPT
SCHEMBL7668210 0.74 HTR1A (0.45) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL8405763 0.74 LMNA (0.50) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1

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-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 MEN1 2895/4885KMT2A 4715/4885SMN1; SMN2 4546/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 MEN1 2606/4885KMT2A 4709/4885SMN1; SMN2 4721/4885

“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.