SCHEMBL16939855

SCHEMBL16939855

CC(C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccc(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.61
▸ SENP7 Q9BQF6 1/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ MAPT P10636 2/20 0.58
▸ TP53 P04637 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ UTRN P46939 1/20 0.57
▸ PTPN2 P17706 1/20 0.56
▸ PTPN1 P18031 1/20 0.56
▸ MAOA P21397 1/20 0.55

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
SCHEMBL15597701 0.92 KDM4E (0.65) CASP3SENP7NPC1ALDH1A1RAB9A
SCHEMBL16939853 0.91 SMN1; SMN2 (0.70) CASP3SENP7NPC1ALDH1A1RAB9A
SCHEMBL16939847 0.91 SMN1; SMN2 (0.70) CASP3SENP7NPC1ALDH1A1RAB9A
SCHEMBL16939851 0.91 SMN1; SMN2 (0.70) CASP3SENP7NPC1ALDH1A1RAB9A
SCHEMBL15569657 0.85 ALDH1A1 (0.68) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL15597717 0.85 ALDH1A1 (0.68) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL15569659 0.85 ALDH1A1 (0.68) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL16939829 0.84 MAPT (0.67) CASP3SENP7ALDH1A1KDM4EMAPT
SCHEMBL2243066 0.84 CASP3 (0.74) CASP3SENP7NPC1ALDH1A1RAB9A
SCHEMBL16939857 0.83 NPC1 (0.60) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E

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-9447134-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2016-09-20 — — US disclosed
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-07-30 — — 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-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS IMPDH1, IMPDH2, IMPA1 CASP3 2605/4885SENP7 4640/4885NPC1 594/4885

“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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