SCHEMBL324210

SCHEMBL324210

[C-]#[N+]c1ccc(Br)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
MAPK1 P28482 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
PYCR1 P32322 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 2/20 0.31
MEN1 O00255 1/20 0.31
ALOX12 P18054 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2A6 P11509 2/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL29955874 1.00 ALDH1A1 (0.35) ALDH1A1MAPK1SIGMAR1PYCR1NPSR1
Hydrochloric Acid SCHEMBL11711448 0.98 ALDH1A1 (0.33) ALDH1A1MAPK1SIGMAR1PYCR1NPSR1
SCHEMBL12126083 0.82 ALDH1A1 (0.35) ALDH1A1MAPK1RAPGEF4ALOX15CYP2A6
SCHEMBL8147369 0.78 CYP2A6 (0.42) ALDH1A1MAPTMEN1KMT2ACYP2A6
SCHEMBL8150148 0.78 CYP2A6 (0.42) ALDH1A1MAPTMEN1KMT2ACYP2A6
SCHEMBL8499168 0.77 ALDH1A1 (0.35) ALDH1A1MAPK1SIGMAR1PYCR1NPSR1
SCHEMBL985929 0.76 TDP1 (0.42) ALDH1A1NPSR1RAPGEF4ALOX15MEN1
SCHEMBL29839690 0.76 ALDH1A1 (0.42) ALDH1A1CA1CA2
SCHEMBL8600425 0.76 ALDH1A1 (0.42) ALDH1A1CA1CA2
SCHEMBL29953658 0.76 TDP1 (0.42) ALDH1A1NPSR1RAPGEF4ALOX15MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787812-B2 Substituted pyrazolo[4,3-d]pyrimidines and imidazo[5,1 -f][1,2,4]triazines as androgen receptor and phosphodiesterase dual inhibitors ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-10-17 US disclosed
US-9920044-B2 Selective androgen receptor modulators RADIUS PHARMACEUTICALS, INC. (US) 2018-03-20 US disclosed
US-20170327512-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL SCRIPPS RESEARCH INST (US) 2017-11-16 US disclosed
US-9750719-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2017-09-05 US disclosed
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2016-01-21 US disclosed
US-20150376198-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-12-31 US disclosed
US-20150322059-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. 2015-11-12 US disclosed
US-9133182-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2015-09-15 US disclosed
US-9115132-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2015-08-25 US disclosed
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
EP-2590953-B1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CONVERGENCE PHARMACEUTICALS (GB) 2014-10-29 EP disclosed
US-20130217732-A1 Selective Androgen Receptor Modulators RADIUS HEALTH, INC. 2013-08-22 US disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
US-20130210796-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited 2013-08-15 US disclosed
EP-2590953-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2013-05-15 EP disclosed
WO-2012004604-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2012-01-12 WO disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 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-20150322059-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, SHBG, GPR119 ALDH1A1 1277/4885MAPK1 1607/4885SIGMAR1 1755/4885
US-20130210796-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1I, CACNB2 ALDH1A1 2584/4885MAPK1 3165/4885SIGMAR1 3130/4885
US-20150376198-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL AVPR2, AVPR1A, AVPR1B ALDH1A1 2890/4885MAPK1 2743/4885SIGMAR1 364/4885
US-20170327512-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL AVPR2, AVPR1A, AVPR1B ALDH1A1 2890/4885MAPK1 2743/4885SIGMAR1 364/4885
US-20130217732-A1 Selective Androgen Receptor Modulators AR, SHBG, GPR119 ALDH1A1 1277/4885MAPK1 1607/4885SIGMAR1 1755/4885
US-11787812-B2 Substituted pyrazolo[4,3-d]pyrimidines and imidazo[5,1 -f][1,2,4]triazines as androgen receptor and phosphodiesterase dual inhibitors PDE5A, AR, PDE3A ALDH1A1 272/4885MAPK1 1422/4885SIGMAR1 2554/4885
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 ALDH1A1 1549/4885MAPK1 211/4885SIGMAR1 1324/4885
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1I, CACNB2 ALDH1A1 2584/4885MAPK1 3165/4885SIGMAR1 3130/4885
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using S1PR1, S1PR5, S1PR3 ALDH1A1 1246/4885MAPK1 1512/4885SIGMAR1 200/4885

“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.