SCHEMBL3287121

SCHEMBL3287121

Fc1cnc(N2CCCC2)c(CNC(=S)Nc2cccc(Cl)c2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LMNA P02545 5/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 3/20 0.44
MEN1 O00255 3/20 0.44
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.41
ALOX12 P18054 1/20 0.41
THRB P10828 1/20 0.41
PKM P14618 1/20 0.40
P2RX7 Q99572 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL3292855 0.98 KMT2A (0.44) ALDH1A1LMNAKMT2AHTTMEN1
SCHEMBL3288444 0.85 ALDH1A1 (0.39) ALDH1A1LMNAKMT2AHTTMEN1
SCHEMBL3290531 0.85 P2RX7 (0.54) ALDH1A1LMNAKMT2AHTTMEN1
SCHEMBL3288758 0.84 P2RX7 (0.53) ALDH1A1LMNAKMT2AHTTMEN1
SCHEMBL3288655 0.83 P2RX7 (0.54) ALDH1A1LMNAKMT2AHTTMEN1
SCHEMBL3292749 0.82 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AHTTMEN1
SCHEMBL3290790 0.79 LMNA (0.49) ALDH1A1LMNAKMT2AHTTMEN1
SCHEMBL3288192 0.78 TRPV1 (0.57)
SCHEMBL3287576 0.77 ALDH1A1 (0.47) ALDH1A1LMNAKMT2AHTTMEN1
SCHEMBL3294550 0.77 KMT2A (0.47) ALDH1A1LMNAKMT2AHTTMEN1

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 10 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-7723367-B2 Amino-tetrazoles analogues and methods of use ABBOTT LABORATORIES (US) 2010-05-25 US disclosed
US-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 US disclosed
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use ABBOTT LABORATORIES (US) 2008-07-17 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 (4 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-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use P2RX7, P2RX2, P2RX5 ALDH1A1 3041/4885LMNA 2076/4885KMT2A 3615/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 ALDH1A1 3041/4885LMNA 2076/4885KMT2A 3615/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 ALDH1A1 3041/4885LMNA 2076/4885KMT2A 3615/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 ALDH1A1 3045/4885LMNA 2013/4885KMT2A 3536/4885

“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.