SCHEMBL3170386

SCHEMBL3170386

Clc1cc(Cl)cc(Nc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.60
ALDH1A1 P00352 6/20 0.57
TDP1 Q9NUW8 3/20 0.57
TSHR P16473 2/20 0.57
ALOX12 P18054 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
ALOX15 P16050 2/20 0.57
MAPK1 P28482 2/20 0.57
PTGS1 P23219 1/20 0.57
SLC6A2 P23975 1/20 0.57
PTGS2 P35354 1/20 0.57
HTR2B P41595 1/20 0.57
MAPT P10636 6/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
AR P10275 1/20 0.56
NPSR1 Q6W5P4 2/20 0.55
RAB9A P51151 2/20 0.55
CYP3A4 P08684 3/20 0.46
HPGD P15428 2/20 0.46

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
Acetic Acid SCHEMBL1446325 0.88 MAPT (0.59) HSD17B10ALDH1A1MAPTMEN1KMT2A
SCHEMBL1686395 0.84 TSHR (0.57) ALDH1A1TSHRALOX12MAPTMEN1
SCHEMBL30342506 0.83 MEN1 (0.68) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL3951892 0.83 MEN1 (0.68) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL25870993 0.82 CYP1A2 (0.50) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL2852704 0.81 ALDH1A1 (0.82) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL31405539 0.80 HSD17B10 (0.43) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL9479942 0.79 ALDH1A1 (0.72) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL1118626 0.79 ALDH1A1 (0.72) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL30448440 0.78 ALDH1A1 (0.78) HSD17B10ALDH1A1TDP1TSHRALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116019794-A Application of amino fullerene material in preparation of exosome PD-L1 inhibition drugs 中国科学院化学研究所 2023-04-28 CN disclosed
EP-1377293-B1 ARYL AND BIARYL PIPERIDINES USED AS MCH ANTAGONISTS PHARMACOPEIA LLC (US) 2010-03-10 EP disclosed
US-6887889-B2 Aryl and biaryl piperdines with MCH modulatory activity PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2005-05-03 US disclosed
EP-1377293-A1 ARYL AND BIARYL PIPERIDINES USED AS MCH ANTAGONISTS PHARMACOPEIA, INC. (US) 2004-01-07 EP disclosed
US-20030013720-A1 Aryl and biaryl piperidines with MCH modulatory activity PHARMACOPEIA, INC. 2003-01-16 US disclosed
WO-2002083134-A1 ARYL AND BIARYL PIPERIDINES USED AS MCH ANTAGONISTS PHARMACOPEIA, INC. (US) 2002-10-24 WO disclosed
US-5344830-A Anitinflammatory, cardiovascular, analgesic, central nervous system MERCK & CO., INC. (US) 1994-09-06 US disclosed
WO-1994013646-A1 N,N-DIACYLPIPERAZINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-06-23 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-20030013720-A1 Aryl and biaryl piperidines with MCH modulatory activity MCHR1, MCHR2, MC5R HSD17B10 2923/4885ALDH1A1 1096/4885TDP1 4229/4885

“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.