SCHEMBL91307

SCHEMBL91307

Nc1cc(C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.55
CYP3A4 P08684 2/20 0.55
TP53 P04637 1/20 0.55
TDP1 Q9NUW8 2/20 0.52
LMNA P02545 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALOX15 P16050 1/20 0.47
SRD5A2 P31213 1/20 0.47
CASR P41180 1/20 0.46
TSHR P16473 1/20 0.44
ALOX5 P09917 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CASP6 P55212 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43

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
SCHEMBL18983905 1.00 NPC1 (0.59) NPC1SMN1; SMN2CYP3A4TP53TDP1
Aminobenzoic Acid SCHEMBL9469511 0.92 TDP1 (0.58) NPC1SMN1; SMN2CYP3A4TP53TDP1
1,4-Butanediol SCHEMBL8846331 0.90 NPC1 (0.55) NPC1SMN1; SMN2CYP3A4TP53TDP1
SCHEMBL7896132 0.86 NPC1 (0.51) NPC1SMN1; SMN2CYP3A4TP53TDP1
SCHEMBL232779 0.86 TP53 (0.64) SMN1; SMN2CYP3A4TP53TDP1LMNA
SCHEMBL132541 0.86 CYP3A4 (0.65) SMN1; SMN2CYP3A4TP53TDP1LMNA
SCHEMBL29944162 0.86 CYP3A4 (0.65) SMN1; SMN2CYP3A4TP53TDP1LMNA
SCHEMBL1172383 0.85 SMN1; SMN2 (0.78) NPC1SMN1; SMN2CYP3A4TP53LMNA
Hydrochloric Acid SCHEMBL3088495 0.84 TP53 (0.62) SMN1; SMN2CYP3A4TP53TDP1LMNA
SCHEMBL28837769 0.84 CYP3A4 (0.63) SMN1; SMN2CYP3A4TP53TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119875347-A Preparation method of high-strength heat conduction material for mobile phone rear cover 东莞市震宇模具塑胶实业有限公司 2025-04-25 CN claimed
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
CN-112961341-B Photochromic azobenzene polyamide and preparation method thereof and photochromic nylon fiber 武汉纺织大学 2022-06-03 CN claimed
CN-112961341-A Photochromic azobenzene polyamide and preparation method thereof and photochromic nylon fiber 武汉纺织大学 2021-06-15 CN claimed
CN-101829092-A Application of substituted benzoyl silybin in preparing medicament for treating virus hepatitis B UNIV DALI 2010-09-15 CN claimed
CN-1274783-C Hexahydrogen bonded self-assembled supermolecular yellow-green luminescent material and its synthesizing method UNIV SICHUAN (CN) 2006-09-13 CN claimed
CN-1640983-A Hexahydrogen bonded self-assembled supermolecular yellow-green luminescent material and its synthesizing method UNIV SICHUAN (CN) 2005-07-20 CN claimed
EP-0864587-B1 Aqueous binder based on polybutadiene DEGUSSA (DE) 2003-08-20 EP claimed
EP-0705316-B1 EPOXY ADHESIVE COMPOSITION MINNESOTA MINING & MFG (US) 1998-07-29 EP claimed
EP-0705316-A1 EPOXY ADHESIVE COMPOSITION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-04-10 EP claimed
US-5280067-A Heat curable adhesive MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-01-18 US claimed
WO-1994000527-A1 EPOXY ADHESIVE COMPOSITION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-01-06 WO claimed
EP-4317128-B1 TRISAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THE SAME MILLIKEN & CO (US) 2025-07-23 EP disclosed
US-12358864-B2 Trisamide compounds and compositions comprising the same MILLIKEN & COMPANY (US) 2025-07-15 US disclosed
CN-119875347-A Preparation method of high-strength heat conduction material for mobile phone rear cover 东莞市震宇模具塑胶实业有限公司 2025-04-25 CN disclosed
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN disclosed
US-4092243-A CONTAINING TRIAZINE RINGS, SELECTIVE ABSORPTION OF HYDROCARBONS BAYER AKTIENGESELLSCHAFT (DT) 1978-05-30 US disclosed
US-4031088-A Iodinated anilic acids STERLING DRUG INC. (US) 1977-06-21 US disclosed
US-3971741-A DISPERSION PIGMENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed
US-3957728-A MODIFIED WITH S-TRIAZINES; ABSORBENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 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 (1 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-12358864-B2 Trisamide compounds and compositions comprising the same PTAR1, TIPRL, TCOF1 NPC1 1902/4885SMN1; SMN2 2156/4885CYP3A4 2357/4885

“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.