SCHEMBL3979320

SCHEMBL3979320

COC(=O)C(Cc1ccc(Br)cc1)NC(=O)c1cc(Cl)ccc1NCc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.45
▸ TACR3 P29371 1/20 0.44
▸ CDK2 P24941 4/20 0.43
▸ KDR P35968 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ ELANE P08246 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ CTSV O60911 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ ABCG2 Q9UNQ0 2/20 0.41
▸ LCK P06239 1/20 0.39
▸ CCKAR P32238 1/20 0.39
▸ CCKBR P32239 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL3979317 1.00 PYGL (0.45) PYGLTACR3CDK2KDRKDM4E
SCHEMBL3994869 0.87 CDK2 (0.45) PYGLTACR3CDK2KDRKDM4E
SCHEMBL5927761 0.87 PYGL (0.47) PYGLTACR3CDK2KDRKDM4E
SCHEMBL3979314 0.85 TACR3 (0.44) PYGLTACR3CDK2KDRKDM4E
SCHEMBL3979310 0.85 TACR3 (0.44) PYGLTACR3CDK2KDRKDM4E
SCHEMBL5926900 0.83 ITGB1 (0.47) PYGLCTSVCTSLCTSBCTSS
SCHEMBL3972197 0.81 GAA (0.48) TACR3ALDH1A1ELANEHDAC1HDAC6
SCHEMBL3972194 0.81 GAA (0.48) TACR3ALDH1A1ELANEHDAC1HDAC6
SCHEMBL3978072 0.80 GPR34 (0.45) PYGL
SCHEMBL8339646 0.80 ITGB1 (0.44) PYGLCTSVCTSLCTSBCTSS

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-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

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 PYGL 202/4885TACR3 3391/4885CDK2 781/4885

“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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