SCHEMBL3289147

SCHEMBL3289147

NCc1cc(F)ccc1Oc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR2A P28223 3/20 0.46
SLC6A4 P31645 3/20 0.46
PPARD Q03181 1/20 0.45
CYP19A1 P11511 3/20 0.42
FFAR4 Q5NUL3 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.39
ALPL P05186 1/20 0.39
MAP2K1 Q02750 1/20 0.39
GRM5 P41594 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL3595344 0.83 HRH1 (0.49) SMN1; SMN2ALDH1A1LMNATDP1SLC6A4
Hydrochloric Acid SCHEMBL3288104 0.82 HRH1 (0.47) SMN1; SMN2ALDH1A1LMNATDP1SLC6A4
SCHEMBL5593294 0.78 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1LMNATDP1SLC6A4
SCHEMBL15354396 0.78 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1LMNATDP1SLC6A4
SCHEMBL25598585 0.73 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1LMNATDP1FFAR4
SCHEMBL3292437 0.72 CD274 (0.47) HTR2ASLC6A4LOXL2GRM5
SCHEMBL5570151 0.72 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1LMNATDP1PPARD
SCHEMBL30354782 0.72 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1LMNATDP1PPARD
SCHEMBL11483460 0.72 LMNA (0.53) SMN1; SMN2ALDH1A1LMNATDP1PPARD
SCHEMBL8804228 0.72 LMNA (0.75) SMN1; SMN2ALDH1A1LMNATDP1CYP19A1

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 SMN1; SMN2 3761/4885ALDH1A1 3041/4885LMNA 2076/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 SMN1; SMN2 3761/4885ALDH1A1 3041/4885LMNA 2076/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 SMN1; SMN2 3761/4885ALDH1A1 3041/4885LMNA 2076/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 SMN1; SMN2 3742/4885ALDH1A1 3045/4885LMNA 2013/4885

“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.