SCHEMBL25624229

SCHEMBL25624229

Cc1cc([N+](=O)[O-])c(Br)nc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ TSHR P16473 5/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ RECQL P46063 1/20 0.40
▸ TDP1 Q9NUW8 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CCR6 P51684 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NLRP1 Q9C000 1/20 0.40
▸ GPR35 Q9HC97 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ GALR2 O43603 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL25624226 0.86 CYP1A2 (0.52) CYP1A2HSD17B10ALDH1A1TSHRCYP3A4
SCHEMBL17802801 0.80 CYP1A2 (0.46) CYP1A2HSD17B10ALDH1A1TSHRCYP3A4
SCHEMBL15515029 0.78 CYP1A2 (0.43) CYP1A2HSD17B10ALDH1A1TSHRCYP3A4
SCHEMBL11002602 0.76 TSHR (0.42) ALDH1A1TSHRCYP3A4TDP1MAPT
SCHEMBL2144114 0.76 ALDH1A1 (0.49) HSD17B10ALDH1A1CYP3A4TDP1MAPT
SCHEMBL30423974 0.76 ALDH1A1 (0.49) HSD17B10ALDH1A1CYP3A4TDP1MAPT
SCHEMBL11005336 0.73 SNCA (0.35) CYP1A2HSD17B10ALDH1A1TSHRCYP3A4
SCHEMBL772362 0.73 TSHR (0.58) CYP1A2HSD17B10ALDH1A1TSHRCYP3A4
SCHEMBL30313522 0.73 TSHR (0.58) CYP1A2HSD17B10ALDH1A1TSHRCYP3A4
SCHEMBL8053279 0.73 TSHR (0.58) CYP1A2HSD17B10ALDH1A1TSHRCYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2023-11-23 — — US disclosed
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-07-25 — — US disclosed
US-11673897-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-06-13 — — 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 (3 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-11708367-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, ERBB3, MAP3K6 CYP1A2 3994/4885HSD17B10 3390/4885ALDH1A1 3215/4885
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, ERBB3, MAP3K6 CYP1A2 3994/4885HSD17B10 3390/4885ALDH1A1 3215/4885
US-11673897-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, MAP3K6, PRKCH CYP1A2 4023/4885HSD17B10 3264/4885ALDH1A1 3263/4885

“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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