SCHEMBL6783268

SCHEMBL6783268

O=Cc1cc(-c2cccc(Br)c2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ BIRC5 O15392 1/20 0.41
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HK1 P19367 1/20 0.39
▸ HKDC1 Q2TB90 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ IDO1 P14902 3/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ GABRG2 P18507 3/20 0.38
▸ GABRB3 P28472 3/20 0.38
▸ GABRA5 P31644 3/20 0.38
▸ GABRA3 P34903 3/20 0.38
▸ GABRA1 P14867 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ GRM5 P41594 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
SCHEMBL7609085 0.83 ERN1 (0.38) ALDH1A1RAB9ANPC1MAPTKDM4E
SCHEMBL27863825 0.82 ERN1 (0.39) ALDH1A1RAB9ANPC1SYKIDO1
SCHEMBL29935212 0.82 EGFR (0.45) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL2084619 0.82 EGFR (0.45) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL28778071 0.79 MAP4K4 (0.49) IDO1
SCHEMBL1094456 0.79 — —
SCHEMBL30067859 0.79 — —
SCHEMBL17820892 0.76 ERN1 (0.54) ALDH1A1MEN1CYP1A2
SCHEMBL7609087 0.76 ERN1 (0.50) MAPT
SCHEMBL16179703 0.76 ALDH1A1 (0.59) ALDH1A1RAB9ANPC1SYKCYP1A2

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-6703387-B2 STYRYLBENZODIAZEPINES HOFFMANN-LA ROCHE INC. 2004-03-09 — — US disclosed
US-20020128262-A1 Inhibitors of HPV E1 helicase enzyme F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2002-09-12 — — 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-20020128262-A1 Inhibitors of HPV E1 helicase enzyme DHX15, DHX35, DHX36 ALDH1A1 589/4885BIRC5 1535/4885RAB9A 2703/4885

“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.

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