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SCHEMBL3532375

SCHEMBL3532375

O=C(Nc1cc(Cl)cc(Cl)c1Cl)N(S)Cc1cccnc1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B13 Q7Z5P4 2/20 0.36
▸ GAA P10253 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ CCR2 P41597 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ P2RX7 Q99572 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ THRB P10828 1/20 0.32
▸ USP2 O75604 1/20 0.32

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
SCHEMBL3532530 0.84 GAA (0.35) HSD17B13GAARAB9AKMT2AP2RX7
SCHEMBL3532373 0.75 ALDH1A1 (0.49) GAARAB9AKMT2ANPC1MEN1
SCHEMBL3287418 0.72 DPP4 (0.46) GAARAB9AKMT2AMEN1TSHR
SCHEMBL3288662 0.70 P2RX7 (0.46) GAARAB9AKMT2AP2RX7MEN1
SCHEMBL3288760 0.69 MEN1 (0.46) GAARAB9AKMT2AP2RX7MEN1
SCHEMBL4354016 0.67 EGFR (0.48) EGFRERBB2
SCHEMBL3288474 0.66 P2RX7 (0.40) RAB9AKMT2ANPC1P2RX7MEN1
SCHEMBL3292860 0.65 MEN1 (0.39) KMT2AP2RX7MEN1TSHRTHRB
SCHEMBL3287581 0.63 MEN1 (0.43) GAARAB9AKMT2AMEN1TSHR
SCHEMBL3296245 0.62 P2RX7 (0.39) P2RX7

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-8546374-B2 Amino-tetrazoles analogues and methods of use ABBVIE INC. (US) 2013-10-01 — — US disclosed
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-12-27 — — US disclosed
US-8217067-B2 Antiinflammatory agents, antidepressants, analgesics, purinergic receptor antagonists; neurodegenerative diseases, spinal cord injuries; 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine ABBOTT LABORATORIES (US) 2012-07-10 — — US disclosed
US-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 — — US disclosed
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 — — US disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 — — 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 (3 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-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 HSD17B13 3956/4885GAA 2556/4885EGFR 2649/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 HSD17B13 3956/4885GAA 2556/4885EGFR 2649/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 HSD17B13 3994/4885GAA 2529/4885EGFR 2754/4885

“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.