SCHEMBL10713640

SCHEMBL10713640

N#Cc1cc(O)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
ESR2 Q92731 8/20 0.42
ESR1 P03372 7/20 0.42
AR P10275 3/20 0.42
CA9 Q16790 3/20 0.41
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
MIF P14174 1/20 0.41
MAPKAPK2 P49137 2/20 0.40

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
SCHEMBL30230881 1.00 CYP1A2 (0.42) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL1622233 0.82 CA9 (0.46) CYP1A2CYP3A4ESR2ESR1AR
Hydroquinone SCHEMBL11481972 0.81 NR4A1 (0.45) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL1697195 0.78 CA9 (0.46) ESR2ESR1ARCA9CA12
SCHEMBL29473510 0.78 CA9 (0.46) ESR2ESR1ARCA9CA12
SCHEMBL29802150 0.76 KDM4E (0.55) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL5072719 0.76 TDP1 (0.48) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL615129 0.76 KDM4E (0.55) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL1267040 0.76 ESR2 (0.44) ESR2ESR1ARCA9CA12
SCHEMBL17498291 0.75 KDM4E (0.39) ESR2ESR1ARCA9CA12

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-2023031308-A1 CCR2 INHIBITORS ARTICA THERAPEUTICS B.V. (NL) 2023-03-09 WO disclosed
US-11186554-B2 Non-fused tricyclic compounds VIVACE THERAPEUTICS, INC. (US) 2021-11-30 US disclosed
US-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2020-02-27 US disclosed
US-4713383-A ADENOSINE AND BENZODIAZEPINE ANTAGONISTS CIBA-GEIGY CORPORATION (US) 1987-12-15 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-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS YAP1, MYC, TEAD2 CYP1A2 4055/4885CYP3A4 3918/4885TSHR 2644/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 CYP1A2 4055/4885CYP3A4 3918/4885TSHR 2644/4885

“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.