SCHEMBL22959367

SCHEMBL22959367

COc1ccc(Oc2c(Cl)cc(N)cc2Cl)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 8/20 0.49
▸ RORC P51449 3/20 0.49
▸ THRA P10827 4/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ TUBB1 Q9H4B7 3/20 0.39
▸ POLB P06746 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ NPBWR1 P48145 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ TUBA3C P0DPH7 1/20 0.36
▸ TUBA1B P68363 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
SCHEMBL4962647 0.83 ALDH1A1 (0.40) THRBTHRAMEN1MAPTKMT2A
SCHEMBL22959143 0.81 ALDH1A1 (0.39) THRBRORCTHRAMEN1MAPT
SCHEMBL5324856 0.81 ALDH1A1 (0.45) THRBRORCTHRAMEN1MAPT
SCHEMBL6818059 0.81 RORC (0.70) THRBRORCTHRA
SCHEMBL3228597 0.80 TDP1 (0.50) MEN1KMT2ALMNAALDH1A1NPBWR1
SCHEMBL3702751 0.79 THRB (0.45) THRBRORCTHRAKMT2ALMNA
Hydrochloric Acid SCHEMBL29965433 0.78 ALDH1A1 (0.52) THRBMEN1MAPTKMT2ALMNA
SCHEMBL12312745 0.76 THRB (0.58) THRBRORCTHRAALDH1A1
SCHEMBL3221389 0.76 THRB (0.57) THRBRORCTHRAMAPTGAA
SCHEMBL22959351 0.76 THRB (0.48) THRBRORCTHRA

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-20220306630-A1 AGONISTS OF ROR GAMMAt BRISTOL MYERS SQUIBB CO (US) 2022-09-29 — — US disclosed
WO-2021026179-A1 AGONISTS OF ROR GAMMAt BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-11 — — WO disclosed
WO-2021026179-A1 AGONISTS OF ROR GAMMAt BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-11 — — WO 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-20220306630-A1 AGONISTS OF ROR GAMMAt RORB, RORA, RORC THRB 44/4885RORC 3/4885THRA 58/4885

“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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