SCHEMBL5160633

SCHEMBL5160633

Cc1c([C]=O)cccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.67
TSHR P16473 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HSD17B10 Q99714 1/20 0.48
GPR35 Q9HC97 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 2/20 0.43
CYP3A4 P08684 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
GLA P06280 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL28541816 0.84 TDP1 (0.60) TDP1TSHRSMN1; SMN2HSD17B10GPR35
SCHEMBL1343814 0.83 TDP1 (0.64) TDP1TSHRSMN1; SMN2HSD17B10GPR35
SCHEMBL16960055 0.83 TDP1 (0.64) TDP1TSHRSMN1; SMN2HSD17B10GPR35
SCHEMBL28343320 0.82 TDP1 (0.52) TDP1TSHRSMN1; SMN2HSD17B10GPR35
SCHEMBL472112 0.81 TDP1 (1.00) TDP1TSHRSMN1; SMN2HSD17B10GPR35
SCHEMBL25310 0.79 HSD17B10 (0.50) TDP1TSHRSMN1; SMN2HSD17B10GPR35
SCHEMBL3345170 0.78 TDP1 (0.48) TDP1TSHRSMN1; SMN2HSD17B10GPR35
SCHEMBL55225 0.78 GPR35 (0.55) TDP1TSHRSMN1; SMN2HSD17B10GPR35
SCHEMBL10825048 0.77 TDP1 (0.47) TDP1TSHRSMN1; SMN2HSD17B10GPR35
SCHEMBL5682648 0.77 GPR35 (0.67) TDP1TSHRSMN1; SMN2GPR35L3MBTL1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109824517-A A kind of 3- nitro o xylene oxidation is the clean preparation method of 2- methyl-3-nitro benzoic acid 江苏永安化工有限公司 2019-05-31 CN disclosed
EP-1233013-B1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO KK (JP) 2007-02-28 EP disclosed
US-7160874-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2007-01-09 US disclosed
US-20050070485-A1 Antagonistic activity to alpha 4 integrin; treating asthma, rheumatoid arthritis; N-[1-N,N-dimethylaminocarbonylcyclopropane-1-ylcarbonyl]-4-({[5-chloro-2-(methylthio)pyrimidine-4-yl]carbonyl}-amino)-L-phenylalanine AJINOMOTO CO., INC. (JP) 2005-03-31 US disclosed
US-6855706-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2005-02-15 US disclosed
CN-1491216-A Novel alkylphenylimidazolidine derivatives for the treatment of urinary incontinence ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-04-21 CN disclosed
EP-1233013-A1 NOVEL PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2002-08-21 EP disclosed
EP-0833818-A1 CB 2? RECEPTOR AGONIST COMPOUNDS SANOFI (FR) 1998-04-08 EP disclosed
WO-1997000860-A1 CB2 RECEPTOR AGONIST COMPOUNDS SANOFI (FR) 1997-01-09 WO disclosed
EP-0041043-A1 Process for the preparation of derivatives of alkenyl benzene or alkenyl naphthalene CIBA-GEIGY AG (CH) 1981-12-02 EP disclosed
US-4259350-A PROTECTING DEGRADABLE ORGANIC MATERIAL FROM FUNGAL OR INSECT ATTACK SANKYO COMPANY LIMITED (JP) 1981-03-31 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-20050070485-A1 Antagonistic activity to alpha 4 integrin; treating asthma, rheumatoid arthritis; N-[1-N,N-dimethylaminocarbonylcyclopropane-1-ylcarbonyl]-4-({[5-chloro-2-(methylthio)pyrimidine-4-yl]carbonyl}-amino)-L-phenylalanine ITGB4, ITGA4, ITGAL TDP1 2797/4885TSHR 1456/4885SMN1; SMN2 2765/4885

“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.