SCHEMBL5306402

SCHEMBL5306402

COc1c[c]cc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.40
ABCB1 P08183 2/20 0.40
BCR P11274 2/20 0.40
ALDH1A3 P47895 1/20 0.40
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 3/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ERN1 O75460 1/20 0.36
AHR P35869 1/20 0.36
CNR1 P21554 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL11767130 0.81 NPC1 (0.42) ABL1ABCB1BCRALDH1A3ALDH1A1
SCHEMBL732632 0.81 CYP1A1 (0.45) ABL1ABCB1BCRALDH1A1MAPT
SCHEMBL28916864 0.78 AHR (0.46) HPGDALDH1A1MAPTAHRTP53
SCHEMBL9254 0.78
SCHEMBL19693022 0.77 MAOB (0.50) ABL1ABCB1BCR
SCHEMBL3947663 0.75 HPGD (0.59) ABL1ABCB1BCRHPGDRAB9A
SCHEMBL11676999 0.75 AHR (0.40) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL792192 0.73 CNR1 (0.59) ABL1ABCB1BCRALDH1A3CNR1
SCHEMBL21647914 0.72 CYP1A2 (0.65) ALDH1A3ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL63193 0.72 ALDH1A1 (0.59) ABL1ABCB1BCRALDH1A1AHR

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
WO-2007019397-A2 6-MEMBERED ARYL AND HETEROARYL DERIVATIVES FOR THE TREATMENT OF HEPATITIS C VIRUS GENELABS TECHNOLOGIES, INC. (US) 2007-02-15 WO claimed
US-20070032488-A1 6-Membered aryl and heteroaryl derivatives for treating viruses GENELABS TECHNOLOGIES, INC. 2007-02-08 US claimed
WO-2007019397-A2 6-MEMBERED ARYL AND HETEROARYL DERIVATIVES FOR THE TREATMENT OF HEPATITIS C VIRUS GENELABS TECHNOLOGIES, INC. (US) 2007-02-15 WO disclosed
US-20070032488-A1 6-Membered aryl and heteroaryl derivatives for treating viruses GENELABS TECHNOLOGIES, INC. 2007-02-08 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 (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-20070032488-A1 6-Membered aryl and heteroaryl derivatives for treating viruses HAVCR2, MAVS, EIF2AK2 ABL1 42/4885ABCB1 838/4885BCR 1079/4885

“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.