SCHEMBL965943

SCHEMBL965943

CC(=O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
ABCB1 P08183 1/20 0.59
MAPT P10636 3/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
CTSV O60911 3/20 0.58
CTSL P07711 3/20 0.58
POLB P06746 2/20 0.57
MRGPRX4 Q96LA9 1/20 0.54
MAOB P27338 4/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MAOA P21397 2/20 0.52
CYP19A1 P11511 1/20 0.52

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
SCHEMBL29368594 1.00 ALDH1A1 (0.63) ALDH1A1LMNAABCB1MAPTMEN1
SCHEMBL5804644 0.94 ALDH1A1 (0.57) ALDH1A1LMNAABCB1MAPTMEN1
SCHEMBL750245 0.89 CTSV (0.63) ABCB1MAPTMEN1KMT2ACTSV
SCHEMBL21775128 0.87 SMN1; SMN2 (0.65) ALDH1A1LMNAABCB1MAPTMEN1
SCHEMBL751415 0.87 KMT2A (0.62) ALDH1A1LMNAABCB1MAPTMEN1
SCHEMBL750963 0.87 CTSV (0.58) ALDH1A1LMNAABCB1MAPTMEN1
SCHEMBL9658186 0.87 CTSV (0.58) ALDH1A1LMNAABCB1MAPTMEN1
SCHEMBL16004968 0.87 ABCB1 (0.59) LMNAABCB1MAPTMEN1KMT2A
SCHEMBL16004812 0.86 MEN1 (0.64) ALDH1A1ABCB1MAPTMEN1KMT2A
SCHEMBL16005056 0.86 ABCB1 (0.58) ALDH1A1LMNAABCB1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117721474-A Cleaning agent for chip after chemical mechanical polishing, preparation method and application thereof 江苏奥首材料科技有限公司 2024-03-19 CN claimed
CN-103664677-A Asymmetric synthesis method of (R,R)-formoterol tartrate UNIV SUN YAT SEN 2014-03-26 CN claimed
CN-101468954-A Unsymmetrical hydrogen migration synthesizing method for (R, R)-formoterol UNIV ZHONGSHAN (CN) 2009-07-01 CN claimed
EP-4539840-A1 KINASE MODULATORS AND METHODS OF USE THEREOF Neuron23, Inc. (US) 2025-04-23 EP disclosed
WO-2023244788-A9 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-09-12 WO disclosed
CN-117721474-A Cleaning agent for chip after chemical mechanical polishing, preparation method and application thereof 江苏奥首材料科技有限公司 2024-03-19 CN disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 US disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 US disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 US disclosed
WO-2023244788-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2023-12-21 WO disclosed
US-11286235-B2 Ultra short acting anti-arrhythmic agents Academic Pharmaceuticals, Incorporated (US) 2022-03-29 US disclosed
EP-0772585-A1 ARYLOXY AND ARYLTHIOPROPANOLAMINE DERIVATIVES USEFUL AS BETA 3-ADRENORECEPTOR AGONISTS AND ANTAGONISTS OF THE BETA 1 AND BETA 2-ADRENORECEPTORS AND PHARMACEUTICAL COMPOSITION THEREOF SMITHKLINE BEECHAM PLC (GB) 1997-05-14 EP disclosed
WO-1996004233-A1 ARYLOXY AND ARYLTHIOPROPANOLAMINE DERIVATIVES USEFUL AS BETA 3-ADRENORECEPTOR AGONISTS AND ANTAGONISTS OF THE BETA 1 AND BETA 2-ADRENORECEPTORS AND PHARMACEUTICAL COMPOSITION THEREOF SMITHKLINE BEECHAM PLC (GB) 1996-02-15 WO disclosed
EP-0659737-A2 Catecholamine surrogates useful as B3 agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-28 EP disclosed
US-4473566-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-25 US disclosed
US-4254117-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-03-03 US disclosed
US-4143166-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-03-06 US disclosed
US-4024281-A N,N-bis[2-(3-substituted-4-hydroxyphenyl)-ethyl or -2-hydroxyethyl]-polymethylenediamines SMITHKLINE CORPORATION (US) 1977-05-17 US disclosed
US-3994974-A BRONCHODILATORS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-11-30 US disclosed
US-3933913-A N,N'-bis[3-substituted-4-hydroxypheyl)-2-hydroxyethyl)]-polymethylenediamines SMITHKLINE CORPORATION (US) 1976-01-20 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 (2 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-11286235-B2 Ultra short acting anti-arrhythmic agents SCN5A, CACNA1G, CACNA1H ALDH1A1 802/4885LMNA 1446/4885ABCB1 452/4885
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, JAK1, JAK3 ALDH1A1 4807/4885LMNA 4294/4885ABCB1 3785/4885

“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.