SCHEMBL6916757

SCHEMBL6916757

O=C(O)N(Cl)Sc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
ALDH1A1 P00352 10/20 0.38
HPGD P15428 4/20 0.38
MAPT P10636 3/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MGLL Q99685 1/20 0.38
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
NPSR1 Q6W5P4 4/20 0.36
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35
PLIN1 O60240 1/20 0.35
PLIN5 Q00G26 1/20 0.35
ABHD5 Q8WTS1 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
DAO P14920 1/20 0.35
TSHR P16473 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
SCHEMBL11359907 0.76 FFAR1 (0.41) FFAR1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL11767314 0.74 HPGD (0.41) FFAR1ALDH1A1HPGDMAPTHSD17B10
Fluoride SCHEMBL11728897 0.73 HPGD (0.39) FFAR1ALDH1A1HPGDSMN1; SMN2CA12
SCHEMBL4654046 0.73 NPSR1 (0.43) FFAR1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL7078994 0.71 CYP3A4 (0.43) FFAR1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL4522173 0.71 ALDH1A1 (0.38) FFAR1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL31319056 0.70 SMN1; SMN2 (0.44) FFAR1ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL7079000 0.70 CYP3A4 (0.46) FFAR1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL19664731 0.70 HPGD (0.45) FFAR1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL4558248 0.70 SIRT1 (0.42) FFAR1ALDH1A1HPGDMAPTHSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686391-B2 N-(MONO-, DI- TRICHLOROPHENYL)CARBAMATES, THIOCARBAMATES OR DITHIOCARBAMATES; ANTICARCINOGENIC AGENTS; VIRICIDES; SAFER THAN ADRIAMYCIN ON HEALTHY CELLS; EFFECTIVE AGAINST CELLS OF MONCYTIC LINAGE INFECTED WITH HIV UNIVERSITY OF ARIZONA FOUNDATION 2004-02-03 US disclosed
US-6498188-B1 ADMINISTRATING AN N-CHLOROPHENYLCARBAMATE OR AN N-CHLORO-PHENYLTHIOCARBAMATE IN COMBINATION WITH POTENTIATOR AND/OR CHEMOTHERAPEUTIC AGENT THE PROCTER & GAMBLE COMPANY 2002-12-24 US disclosed
US-20010002403-A1 N-chlorophenylcarbamate and N-chlorophenylthiocarbamate compositions THE PROCTER & GAMBLE COMPANY 2001-05-31 US disclosed
EP-0820282-A1 A PHARMACEUTICAL COMPOSITION CONTAINING N-CHLOROPHENYLCARBAMATES, N-CHLOROPHENYLTHIOCARBAMATES AND N-PHOSPHONOGLYCINE DERIVATIVES FOR INHIBITING THE GROWTH OF CANCERS AND VIRUSES IN MAMMALS THE PROCTER & GAMBLE COMPANY (US) 1998-01-28 EP disclosed
US-5656615-A Pharmaceutical composition for inhibiting the growth of cancers and viruses in mammals THE PROCTER & GAMBLE COMPANY (US) 1997-08-12 US disclosed
WO-1996032103-A1 A PHARMACEUTICAL COMPOSITION CONTAINING N-CHLOROPHENYLCARBAMATES, N-CHLOROPHENYLTHIOCARBAMATES AND N-PHOSPHONOGLYCINE DERIVATIVES FOR INHIBITING THE GROWTH OF CANCERS AND VIRUSES IN MAMMALS THE PROCTER & GAMBLE COMPANY (US) 1996-10-17 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-20010002403-A1 N-chlorophenylcarbamate and N-chlorophenylthiocarbamate compositions TP53, CPS1, MGMT FFAR1 4780/4885ALDH1A1 2801/4885HPGD 1950/4885

“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.