SCHEMBL13114307

SCHEMBL13114307

Cn1cc(C(=O)N2CCCCC2)c2cc(Cl)ccc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.52
▸ CNR1 P21554 3/20 0.52
▸ TP53 P04637 3/20 0.51
▸ ATM Q13315 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ACLY P53396 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ PTGS2 P35354 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL22003818 0.96 ACLY (0.53) POLBCNR1TP53ATML3MBTL1
SCHEMBL13114463 0.89 TP53 (0.62) POLBCNR1TP53LMNAALOX15
SCHEMBL14115042 0.87 PTGS2 (0.50) POLBCNR1TP53ACLYLMNA
SCHEMBL13114473 0.87 KDM4E (0.59) TP53LMNAALOX15TSHRSMN1; SMN2
SCHEMBL3457429 0.80 ALDH1A1 (0.68) POLBCNR1L3MBTL1LMNASMN1; SMN2
SCHEMBL1807927 0.80 EPHX2 (0.47) CNR1TP53
SCHEMBL22003819 0.79 ACLY (0.50) CNR1TP53ACLYLMNAALOX15
SCHEMBL27249698 0.79 ALDH1A1 (0.66) POLBL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL9572754 0.78 KCNH2 (0.59) POLBL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL8355113 0.78 KMT2A (0.63) POLBTP53TSHRSMN1; SMN2ALDH1A1

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
EP-2118060-B1 1-BENZENESULFONYL-1H-INDOLE DERIVATIVES AS INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2010-10-06 — — EP disclosed
US-20100075963-A1 Pharmaceutically Active Benzensulphonyl-Indols NOVARTIS AG (CH) 2010-03-25 — — US disclosed
US-20100075963-A1 Pharmaceutically Active Benzensulphonyl-Indols NOVARTIS AG (CH) 2010-03-25 — — 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-20100075963-A1 Pharmaceutically Active Benzensulphonyl-Indols CCR9, IDO1, CCR10 POLB 3876/4885CNR1 56/4885TP53 4367/4885

“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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