SCHEMBL334438

SCHEMBL334438

NCC(O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
NPC1 O15118 2/20 0.57
TAAR1 Q96RJ0 2/20 0.53
HTR3A P46098 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
HIF1A Q16665 1/20 0.53
KDM4E B2RXH2 3/20 0.52
LOXL2 Q9Y4K0 1/20 0.52
ALOX15 P16050 1/20 0.52
APEX1 P27695 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
MAPT P10636 2/20 0.47

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
SCHEMBL7150447 1.00 ALDH1A1 (0.68) ALDH1A1NPC1TAAR1HTR3ATSHR
SCHEMBL4942727 1.00 ALDH1A1 (0.68) ALDH1A1NPC1TAAR1HTR3ATSHR
Hydrochloric Acid SCHEMBL26098210 0.98 ALDH1A1 (0.66) ALDH1A1NPC1TAAR1HTR3ATSHR
SCHEMBL6695879 0.85 ALDH1A1 (0.64) ALDH1A1NPC1KDM4ELOXL2MEN1
SCHEMBL1983480 0.84 ALDH1A1 (0.72) ALDH1A1NPC1TSHRKDM4EMEN1
SCHEMBL18913904 0.84 ALDH1A1 (0.72) ALDH1A1NPC1TSHRKDM4EMEN1
SCHEMBL2368297 0.84 ALDH1A1 (0.72) ALDH1A1NPC1TSHRKDM4EMEN1
SCHEMBL240466 0.84 ALDH1A1 (0.72) ALDH1A1NPC1TSHRKDM4EMEN1
SCHEMBL28436171 0.82 ALDH1A1 (0.70) ALDH1A1NPC1TSHRKDM4EMEN1
SCHEMBL1023275 0.82 ALDH1A1 (0.70) ALDH1A1NPC1TSHRKDM4EMEN1

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
CN-115515934-A NAMPT modulators 赛特凯恩蒂克公司 2022-12-23 CN disclosed
CN-114874143-A Regulator containing pyrazole derivatives, preparation method and application thereof 上海翰森生物医药科技有限公司 2022-08-09 CN disclosed
WO-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 WO disclosed
EP-2962687-B1 TAU AGGREGATION INHIBITOR THE DOSHISHA (JP) 2019-06-05 EP disclosed
US-9907799-B2 Tau aggregation inhibitor THE DOSHISHA (JP) 2018-03-06 US disclosed
EP-1917020-B1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS INC (US) 2016-05-25 EP disclosed
US-20160030437-A1 TAU AGGREGATION INHIBITOR NATIONAL CENTER FOR GERIATRICS AND GERONTOLOGY (JP) 2016-02-04 US disclosed
EP-2962687-A1 TAU AGGREGATION INHIBITOR The Doshisha (JP) 2016-01-06 EP disclosed
WO-2004099165-A2 HETEROCYCLIC COMPOUNDS AND HYDRO ISOMERS THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed
US-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 US disclosed
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 US disclosed
US-20030158237-A1 Combination of antioxidant substances for the treatment of alzheimer's disease COLBA R & D INC. (CA) 2003-08-21 US disclosed
CN-1419541-A Pharmaceutically active pyrrolidine derivatives as BAX inhibitors APPLIED RES SYSTEMS AKS HOLDIN (NL) 2003-05-21 CN disclosed
EP-1268418-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
WO-2001074769-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-11 WO disclosed
US-5280027-A Quinazoline containing compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed
EP-0459730-A2 Anti-tumour compounds ZENECA LIMITED (GB) 1991-12-04 EP disclosed
US-3947456-A ANTIDEPRESSANTS HOFFMAN-LA ROCHE INC. (US) 1976-03-30 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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives OXTR, CNR1, PRLHR ALDH1A1 3384/4885NPC1 4009/4885TAAR1 271/4885
US-20160030437-A1 TAU AGGREGATION INHIBITOR MAPT, PSEN2, PSEN1 ALDH1A1 4120/4885NPC1 1177/4885TAAR1 3190/4885
US-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 ALDH1A1 2019/4885NPC1 463/4885TAAR1 1851/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS ALDH1A1 3249/4885NPC1 1842/4885TAAR1 2024/4885

“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.