SCHEMBL2061743

SCHEMBL2061743

Cc1cc([N+](=O)[O-])ccc1N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
HTT P42858 5/20 0.62
LMNA P02545 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
MAPT P10636 4/20 0.62
RAB9A P51151 2/20 0.62
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
NFKB1 P19838 1/20 0.62
CYP2C19 P33261 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
SLC6A5 Q9Y345 2/20 0.62
SLC6A9 P48067 1/20 0.57
NPC1 O15118 2/20 0.55
IDE P14735 1/20 0.55
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL29769093 1.00 ALDH1A1 (0.66) ALDH1A1HTTLMNASMN1; SMN2MAPT
SCHEMBL242441 0.84 GAA (0.69) ALDH1A1HTTLMNASMN1; SMN2MAPT
SCHEMBL7049102 0.84 GAA (0.60) ALDH1A1HTTLMNASMN1; SMN2MAPT
SCHEMBL6221391 0.84 GAA (0.69) ALDH1A1HTTLMNASMN1; SMN2MAPT
SCHEMBL30410222 0.83 ALDH1A1 (0.61) ALDH1A1HTTLMNASMN1; SMN2KMT2A
SCHEMBL7800482 0.83 GAA (0.72) ALDH1A1HTTLMNASMN1; SMN2MAPT
SCHEMBL29937693 0.83 ALDH1A1 (0.68) ALDH1A1HTTLMNASMN1; SMN2MAPT
SCHEMBL398803 0.83 ALDH1A1 (0.61) ALDH1A1HTTLMNASMN1; SMN2KMT2A
SCHEMBL2103553 0.83 ALDH1A1 (0.68) ALDH1A1HTTLMNASMN1; SMN2MAPT
SCHEMBL13241732 0.82 ALDH1A1 (0.63) ALDH1A1HTTLMNASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6379400-B1 DYEING FIBERS, SOLVENT OF WATER OR ALCOHOL AND NITROANILINE DYE WELLA AKTIENGESELLSCHAFT (DE) 2002-04-30 US claimed
EP-1037593-A1 AGENT AND METHOD FOR DYEING FIBRES Wella Aktiengesellschaft (DE) 2000-09-27 EP claimed
WO-2000021496-A1 AGENT AND METHOD FOR DYEING FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2000-04-20 WO claimed
US-20240317758-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2024-09-26 US disclosed
US-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE, INC. 2024-04-25 US disclosed
CN-117597346-A NEK7 inhibitors 哈利亚治疗公司 2024-02-23 CN disclosed
EP-4320127-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-02-14 EP disclosed
CN-115215816-B Synthesis method of lactam compound 普济生物科技(台州)有限公司 2024-02-02 CN disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
CN-115215816-A Synthesis method of lactam compound 普济生物科技(台州)有限公司 2022-10-21 CN disclosed
WO-2022150574-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2022-07-14 WO disclosed
EP-1916249-A1 3-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(thio)oxo-2-(thio)oxo-azolidin-5-ylidene derivatives as antibacterial agents LEK Pharmaceuticals D.D. (SI) 2008-04-30 EP disclosed
WO-2008043733-A1 3- (BENZO [D] [1,3] DIOXOL-5-YLMETHYL) -4- (THIO) OXO-2- (THIO) OXO-AZOLIDIN-5-YLIDENE DERIVATIVES AS ANTIBACTERIAL AGENTS LEK PHARMACEUTICAL D.D. (SI) 2008-04-17 WO disclosed
WO-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 WO disclosed
CN-1950345-A Morpholinylanilinoquinazoline derivatives for use as antiviral agents ARROW THERAPEUTICS LTD (GB) 2007-04-18 CN disclosed
EP-1748991-A1 MORPHOLINYLANILINOQUINAZO- LINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS Arrow Therapeutics Limited (GB) 2007-02-07 EP disclosed
WO-2005105761-A1 MORPHOLINYLANILINOQUINAZO- LINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2005-11-10 WO disclosed
US-6379400-B1 DYEING FIBERS, SOLVENT OF WATER OR ALCOHOL AND NITROANILINE DYE WELLA AKTIENGESELLSCHAFT (DE) 2002-04-30 US disclosed
EP-1037593-A1 AGENT AND METHOD FOR DYEING FIBRES Wella Aktiengesellschaft (DE) 2000-09-27 EP disclosed
WO-2000021496-A1 AGENT AND METHOD FOR DYEING FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2000-04-20 WO 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 (3 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-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE DLD, GCDH, DLAT ALDH1A1 188/4885HTT 3908/4885LMNA 1528/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 ALDH1A1 4542/4885HTT 1380/4885LMNA 334/4885
US-20240317758-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 ALDH1A1 4225/4885HTT 3535/4885LMNA 196/4885

“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.