SCHEMBL12722836

SCHEMBL12722836

Cc1cc(N=O)c(O)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.35
▸ CCNB2 O95067 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ HPGD P15428 5/20 0.33
▸ ALOX12 P18054 5/20 0.33
▸ HTT P42858 4/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ POLB P06746 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ TDP1 Q9NUW8 3/20 0.32

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
SCHEMBL3279189 0.82 MAPT (0.39) ESR1HPGDALOX12HTTKDM4E
SCHEMBL9820018 0.80 MAPT (0.42) ESR1ESR2HPGDALOX12HTT
SCHEMBL9819938 0.76 ALOX15 (0.36) ALOX12KDM4EALOX15
SCHEMBL14980798 0.75 HTT (0.35) HTTMAPTLMNAALDH1A1TSHR
SCHEMBL68996 0.74 ALOX15 (0.43) ESR1ESR2HPGDALOX12HTT
SCHEMBL16024940 0.73 TSHR (0.34) HTTLMNACYP3A4TSHR
SCHEMBL6743198 0.72 ALOX15 (0.40) ESR1ESR2HPGDALOX12HTT
SCHEMBL30283411 0.72 ALOX15 (0.48) ESR1ESR2HPGDALOX12KDM4E
SCHEMBL482183 0.72 ALOX15 (0.48) ESR1ESR2HPGDALOX12KDM4E
SCHEMBL21635508 0.72 HTT (0.38) ESR1HTTMAPTGAALMNA

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-8487100-B2 Compounds for binding to ER alpha/beta and GPR30, methods of treating disease states and conditions mediated through these receptors and identification thereof STC.UNM (US) 2013-07-16 — — US disclosed
US-20110092533-A1 COMPOUNDS FOR BINDING TO ER ALPHA/BETA AND GPR30, METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS AND IDENTIFICATION THEREOF STC. UNM (US) 2011-04-21 — — 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-20110092533-A1 COMPOUNDS FOR BINDING TO ER ALPHA/BETA AND GPR30, METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS AND IDENTIFICATION THEREOF GPER1, ESR2, ESRRG GSK3B 465/4885CCNB2 3217/4885CDK1 1211/4885

“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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