SCHEMBL10175168

SCHEMBL10175168

[C-]#[N+]Cc1ccccc1Br

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
IDO1 P14902 2/20 0.46
TSHR P16473 2/20 0.39
CYP2A13 Q16696 1/20 0.38
PYCR1 P32322 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.35
BLM P54132 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
KDM1A O60341 1/20 0.34
KMT2A Q03164 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
SCHEMBL11366815 0.84 HSPA5 (0.33) IDO1CYP1A2CYP2C19
SCHEMBL6242080 0.73 IDO1 (0.50) TAAR1IDO1TSHRCYP1A2CYP2D6
SCHEMBL29957198 0.73 TAAR1 (0.46) TAAR1TSHRCYP2A13LMNAALDH1A1
SCHEMBL29953492 0.73 TAAR1 (0.48) TAAR1IDO1CYP2A13CYP1A2CYP2C19
SCHEMBL29955969 0.73 IDO1 (0.50) TAAR1IDO1TSHRCYP1A2CYP2D6
SCHEMBL12245650 0.73 TAAR1 (0.48) TAAR1IDO1CYP2A13CYP1A2CYP2C19
SCHEMBL376960 0.73 TAAR1 (0.46) TAAR1TSHRCYP2A13LMNAALDH1A1
SCHEMBL854969 0.73 GABRA1 (0.41) CYP2D6ALDH1A1
SCHEMBL8703610 0.73 TAAR1 (0.64) TAAR1IDO1TSHRCYP2A13PYCR1
SCHEMBL29930048 0.73 TAAR1 (0.64) TAAR1IDO1TSHRCYP2A13PYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 US disclosed
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2016-10-13 US disclosed
US-20160176906-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-06-23 US disclosed
US-9248140-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-02-02 US disclosed
US-20150328239-A1 Chemical Compounds ASTRAZENECA AB (SE) 2015-11-19 US disclosed
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2015-07-23 US disclosed
US-9018381-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-04-28 US disclosed
US-8969557-B2 ACC inhibitors and uses thereof Nimbus Apollo, Inc. (US) 2015-03-03 US disclosed
US-20140336222-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME (US) 2014-11-13 US disclosed
US-8859776-B2 Substituted piperidines that increase p53 activity and the uses thereof MERCK SHARP & DOHME CORP. (US) 2014-10-14 US disclosed
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (UK) 2013-11-21 US disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 US disclosed
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME LLC 2012-08-16 US disclosed
US-20120035134-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 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 (9 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-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 TAAR1 4250/4885IDO1 4016/4885TSHR 4633/4885
US-20120035134-A1 CHEMICAL COMPOUNDS BCL2, BCL2L1, BAX TAAR1 4771/4885IDO1 3904/4885TSHR 4502/4885
US-20150328239-A1 Chemical Compounds BCL2, BCL2L1, BAX TAAR1 4771/4885IDO1 3904/4885TSHR 4502/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 TAAR1 4250/4885IDO1 4016/4885TSHR 4633/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX TAAR1 4771/4885IDO1 3904/4885TSHR 4502/4885
US-20140336222-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF TP53, TP53BP1, MDM2 TAAR1 4692/4885IDO1 2527/4885TSHR 4795/4885
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BCL2, BAX, BCLAF1 TAAR1 4651/4885IDO1 4423/4885TSHR 4296/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 TAAR1 4250/4885IDO1 4016/4885TSHR 4633/4885
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF TP53, MDM2, TP53BP1 TAAR1 4768/4885IDO1 2834/4885TSHR 4795/4885

“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.