SCHEMBL3868441

SCHEMBL3868441

O=C(O)CC(c1ccccc1)c1ccc2[nH]c(-c3ccc(Cl)s3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 9/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NCOA2 Q15596 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL3868438 0.81 F10 (0.40) F10ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL3871590 0.78 F10 (0.38) F10ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL3861744 0.78 F10 (0.47) F10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3863014 0.76 CSNK2A2 (0.49) F10ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL8349167 0.75 F10 (0.38) F10ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL8346713 0.75 F10 (0.47) F10ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL13759438 0.75 F10 (0.43) F10HDAC6
SCHEMBL3865007 0.74 F10 (0.40) F10ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL13759435 0.73 NPSR1 (0.41) F10ALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL5872616 0.73 F10 (0.46) F10

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-7566789-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2009-07-28 — — US disclosed
US-20050272740-A1 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2005-12-08 — — 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-20050272740-A1 Benzimidazole derivatives F12, F11, SERPINC1 F10 5/4885ALDH1A1 809/4885KDM4E 1595/4885

“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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