SCHEMBL3290347

SCHEMBL3290347

Cc1ccc(CN)c(Oc2cccnc2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRM5 P41594 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
MAP4K4 O95819 2/20 0.37
SYK P43405 1/20 0.37
MGAT2 Q10469 1/20 0.37
CYP19A1 P11511 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 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
SCHEMBL993054 0.79 LMNA (0.47) LMNATDP1CHRNB2CHRNA4MAP4K4
SCHEMBL15831987 0.78 NOS3 (0.47) HRH4ALDH1A1CYP2A6
SCHEMBL15831991 0.77 MEN1 (0.42) LMNATDP1GRM5NPC1RAB9A
SCHEMBL5010358 0.74 CD274 (0.51) LMNANPC1RAB9AATMALDH1A1
SCHEMBL3290162 0.74 CYP19A1 (0.57) LMNATDP1HRH4MAP4K4CYP19A1
SCHEMBL3291555 0.74 KMT2A (0.52) GRM5MAP4K4
SCHEMBL3595344 0.71 HRH1 (0.49) LMNATDP1GRM5CYP19A1ALDH1A1
Hydrochloric Acid SCHEMBL3288104 0.70 HRH1 (0.47) LMNATDP1GRM5CYP19A1ALDH1A1
SCHEMBL20176876 0.70 LMNA (0.60) LMNATDP1GRM5CHRNB2CHRNA4
SCHEMBL29972517 0.70 LMNA (0.60) LMNATDP1GRM5CHRNB2CHRNA4

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 LMNA 2076/4885TDP1 1863/4885GRM5 139/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 LMNA 2076/4885TDP1 1863/4885GRM5 139/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 LMNA 2076/4885TDP1 1863/4885GRM5 139/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 LMNA 2013/4885TDP1 1904/4885GRM5 136/4885

“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.