SCHEMBL3979330

SCHEMBL3979330

CCC(C)CNc1ccc(Cl)cc1C(=O)NC(CC(=O)OC)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ THRB P10828 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TACR3 P29371 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ CYP26A1 O43174 3/20 0.38
▸ KCNA5 P22460 1/20 0.37
▸ CTSA P10619 5/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL3979327 0.81 HDAC1 (0.46) ALDH1A1TACR3
SCHEMBL3995400 0.81 MEN1 (0.50) POLBMEN1KMT2ATHRBALDH1A1
SCHEMBL5926375 0.80 POLB (0.49) POLBMEN1KMT2ATHRBALDH1A1
SCHEMBL3977295 0.76 TACR3 (0.40) THRBTP53TACR3KCNA5
SCHEMBL3993040 0.76 ALDH1A1 (0.43) POLBMEN1KMT2ATHRBALDH1A1
SCHEMBL5926517 0.75 CYP26A1 (0.41) CYP26A1KCNA5CTSA
SCHEMBL6511062 0.74 PTGER1 (0.39) ALDH1A1KCNA5
SCHEMBL3976260 0.74 CASP3 (0.42) ALDH1A1CYP26A1KCNA5CTSA
SCHEMBL3980839 0.72 KDM4E (0.54) MEN1KMT2AALDH1A1TP53
SCHEMBL5926435 0.69 MEN1 (0.63) POLBMEN1KMT2AALDH1A1LMNA

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-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 — — US disclosed
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use VTVX HOLDINGS I LLC 2005-03-03 — — US disclosed
WO-2005014532-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — 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-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use EPOR, HBG2, CYP2F1 POLB 2917/4885MEN1 4435/4885KMT2A 2042/4885

“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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