SCHEMBL3532373

SCHEMBL3532373

Fc1ncccc1CNC(=S)Nc1cc(Cl)cc(Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 1/20 0.49
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 7/20 0.45
MAPT P10636 5/20 0.45
ALOX12 P18054 4/20 0.45
HPGD P15428 2/20 0.43
PKM P14618 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
PPARG P37231 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
GAA P10253 2/20 0.42

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
SCHEMBL3288471 0.83 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL3289093 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL3296241 0.79 KMT2A (0.43) ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL3287430 0.76 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL3532375 0.75 HSD17B13 (0.36) RAB9ANPC1KMT2AMEN1GAA
SCHEMBL3294393 0.74 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL3288628 0.73 MEN1 (0.46) ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL3530286 0.73 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL3288279 0.73 MEN1 (0.57) ALDH1A1SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL3287390 0.73 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A

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
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
EP-1747206-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-01-31 EP disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US disclosed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 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 (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 ALDH1A1 3041/4885SMN1; SMN2 3761/4885RAB9A 2726/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 ALDH1A1 3041/4885SMN1; SMN2 3761/4885RAB9A 2726/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 ALDH1A1 3045/4885SMN1; SMN2 3742/4885RAB9A 2680/4885

“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.