SCHEMBL3287590

SCHEMBL3287590

CON=C1CCc2ccc(F)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
PARP10 Q53GL7 1/20 0.41
SRD5A1 P18405 1/20 0.40
TYMS P04818 2/20 0.38
ACHE P22303 1/20 0.38
MAPK14 Q16539 6/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MAPT P10636 5/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HDAC2 Q92769 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL3287587 1.00 PARP1 (0.41) PARP1PARP10SRD5A1TYMSACHE
SCHEMBL31731016 0.81 PBRM1 (0.49) TYMSMAPK14MAPTMEN1KMT2A
SCHEMBL31127751 0.78 MAPT (0.45) SRD5A1MAPTCASP3SENP8SENP7
SCHEMBL31127800 0.78 MAPT (0.45) SRD5A1MAPTCASP3SENP8SENP7
SCHEMBL23678197 0.78 PARP1 (0.43) PARP1PARP10SRD5A1TYMSACHE
SCHEMBL18762883 0.78 HTT (0.49) PARP1PARP10SRD5A1TYMSACHE
SCHEMBL25295761 0.78 HTT (0.49) PARP1PARP10SRD5A1TYMSACHE
SCHEMBL10192543 0.76 SMN1; SMN2 (0.46) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL11886413 0.76 SMN1; SMN2 (0.46) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL788630 0.76 SMN1; SMN2 (0.46) MAPTMEN1KMT2ARAB9ASMN1; SMN2

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-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
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 (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 PARP1 3867/4885PARP10 3727/4885SRD5A1 3401/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 PARP1 3867/4885PARP10 3727/4885SRD5A1 3401/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 PARP1 3867/4885PARP10 3727/4885SRD5A1 3401/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 PARP1 3926/4885PARP10 3650/4885SRD5A1 3543/4885

“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.