SCHEMBL40979

SCHEMBL40979

O=C(O)c1ccc(CBr)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.64
TSHR P16473 2/20 0.58
LMNA P02545 1/20 0.58
HCAR3 P49019 13/20 0.54
APEX1 P27695 1/20 0.54
PDK1 Q15118 1/20 0.50

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
SCHEMBL27411911 0.89 CASP6 (0.62) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL7643058 0.87 CASP6 (0.64) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL7527156 0.85 PDK1 (0.49) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL28269442 0.85 PDK1 (0.52) CASP6TSHRLMNAHCAR3PDK1
SCHEMBL7510384 0.85 PARP1 (0.59) CASP6TSHRLMNAPDK1
SCHEMBL13801545 0.85 CASP6 (0.47) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL6341472 0.85 CASP6 (0.66) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL30481076 0.85 CASP6 (0.66) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL1483517 0.85 CASP6 (0.66) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL20757 0.85 PDK1 (0.68) CASP6TSHRLMNAHCAR3APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119752436-A Thionitrous acid near infrared light activated probe and preparation method and application thereof 徐州医科大学 2025-04-04 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-118120533-A Light/enzyme dual-response photodynamic nano pesticide controlled release system and preparation and application thereof 武汉三江航天固德生物科技有限公司 2024-06-04 CN claimed
CN-117454941-B Safe binary neural network reasoning system based on function secret sharing 哈尔滨工业大学(深圳)(哈尔滨工业大学深圳科技创新研究院) 2024-04-26 CN claimed
CN-117586468-A (R) -BNBA-TP-COF polymer and preparation method and application thereof 山东师范大学 2024-02-23 CN claimed
CN-117454941-A Safe binary neural network reasoning system based on function secret sharing 哈尔滨工业大学(深圳)(哈尔滨工业大学深圳科技创新研究院) 2024-01-26 CN claimed
CN-114672047-B Preparation method and application of carboxymethyl chitosan hydrogel 佛山科学技术学院 2023-09-29 CN claimed
CN-114672047-A Preparation method and application of carboxymethyl chitosan hydrogel 佛山科学技术学院 2022-06-28 CN claimed
CN-113024436-B Cys fluorescent molecular probe for detecting DNA (deoxyribonucleic acid) targeting under reduction stress as well as preparation method and application of Cys fluorescent molecular probe 曲阜师范大学 2022-06-10 CN claimed
CN-113997371-A Treatment method convenient for wicker peeling processing 阜南县金源柳木工艺品有限公司 2022-02-01 CN claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
US-6398857-B1 ACCUSTIC PIEZOELECTRIC; HOT MELT INK JET PRINTING; BENZOIC ACID VEHICLE; ALKYL OR PHENYL CARBOXYLIC ACID VISCOSITY MODIFIER; RETAINS DESIRED HARDNESS XEROX CORPORATION 2002-06-04 US claimed
WO-2002020630-A1 PROCESS FOR THE PREPARATION OF GLYCEROL-BASED CROSSLINKED POLYMERIC GELS LIPAL BIOCHEMICALS (CH) 2002-03-14 WO claimed
US-5482719-A Drug delivery systems MEDIPRO SCIENCES LIMITED (CA) 1996-01-09 US claimed
WO-1994009826-A2 DRUG DELIVERY SYSTEMS, CHARACTERISED BY A PHOTOLABILE LINKAGE MEDIPRO SCIENCES LIMITED (CA) 1994-05-11 WO claimed
US-4189605-A 3-Nitro-4-bromomethyl benzoic acid WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1980-02-19 US claimed
US-4101721-A Solid phase synthesis of protected peptides WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1978-07-18 US claimed

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-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 CASP6 2660/4885TSHR 2894/4885LMNA 1769/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 CASP6 2761/4885TSHR 4082/4885LMNA 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.