SCHEMBL1105474

SCHEMBL1105474

Cc1ccc(C#CC#Cc2ccccc2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
ALDH1A1 P00352 5/20 0.55
CYP3A4 P08684 5/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CA12 O43570 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46

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
SCHEMBL29428992 0.89 MAPT (0.70) MAPTALDH1A1CYP3A4KDM4EMEN1
SCHEMBL2980211 0.89 MAPT (0.70) MAPTALDH1A1CYP3A4KDM4EMEN1
SCHEMBL22146860 0.84 CYP3A4 (0.76) MAPTALDH1A1CYP3A4KDM4EMEN1
SCHEMBL5012559 0.77 ALDH1A1 (0.52) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15235714 0.76 NPC1 (0.53) MAPTALDH1A1CYP3A4KDM4EMEN1
SCHEMBL29616405 0.76 CYP3A4 (0.83) MAPTALDH1A1CYP3A4KDM4EMEN1
SCHEMBL12064267 0.76 ACHE (0.62) MAPTALDH1A1CYP3A4MEN1KMT2A
SCHEMBL15235712 0.75 TSHR (0.46) MAPTALDH1A1CYP3A4KDM4EMEN1
SCHEMBL29428987 0.74 MAPT (0.95) MAPTALDH1A1CYP3A4KDM4EMEN1
SCHEMBL28272577 0.73 CA12 (0.61) MAPTALDH1A1CYP3A4KDM4EMEN1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020102572-A1 ANTIBACTERIAL COMPOUNDS FORGE THERAPEUTICS, INC. (US) 2020-05-22 WO disclosed
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
EP-2295402-A2 Antibacterial agents The University of Washington (US) 2011-03-16 EP disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 (8 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS MAPT 4619/4885ALDH1A1 782/4885CYP3A4 85/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS MAPT 4619/4885ALDH1A1 782/4885CYP3A4 85/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS MAPT 4619/4885ALDH1A1 782/4885CYP3A4 85/4885
US-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 MAPT 4643/4885ALDH1A1 687/4885CYP3A4 87/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MAPT 4619/4885ALDH1A1 782/4885CYP3A4 85/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 MAPT 4643/4885ALDH1A1 687/4885CYP3A4 87/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MAPT 4619/4885ALDH1A1 782/4885CYP3A4 85/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS MAPT 4619/4885ALDH1A1 782/4885CYP3A4 85/4885

“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.