SCHEMBL6493412

SCHEMBL6493412

CSc1ccc(C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.57
MCL1 Q07820 1/20 0.53
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.42
CASP6 P55212 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
RXRA P19793 1/20 0.41
MAPT P10636 2/20 0.41
CES2 O00748 1/20 0.41
APAF1 O14727 1/20 0.40
KDM4A O75164 1/20 0.40
DNMT1 P26358 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40

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
SCHEMBL15354647 0.87 DTYMK (0.62) DTYMKMCL1TSHRALDH1A1CYP3A4
SCHEMBL4820050 0.87 DTYMK (0.76) DTYMKMCL1TSHRALDH1A1TDP1
SCHEMBL15782551 0.86 DTYMK (0.75) DTYMKTSHRALDH1A1CYP3A4ALOX15
SCHEMBL7167920 0.85 MAPT (0.44) DTYMKMCL1TSHRALDH1A1CYP3A4
SCHEMBL3903081 0.83 LMNA (0.46) DTYMKMCL1TSHRALDH1A1CYP3A4
SCHEMBL10504487 0.83 DTYMK (0.53) DTYMKTSHRALDH1A1CYP3A4ALOX15
SCHEMBL6493349 0.83 SIRT6 (0.44) DTYMKALDH1A1TDP1MEN1KMT2A
SCHEMBL15782554 0.81 DTYMK (0.67) DTYMKTSHRALDH1A1CYP3A4ALOX15
SCHEMBL14370690 0.80 DTYMK (0.50) DTYMKTSHRALDH1A1CYP3A4ALOX15
SCHEMBL6979136 0.79 GAA (0.60) DTYMKTSHRALDH1A1CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-217663289-U 2-nitro-4 methylsulfonyl benzoic acid production is with continuous decoloration device 倍合德华强(连云港)医药化工科技有限公司 2022-10-28 CN disclosed
US-6844338-B2 Piperidyindoles as serotonin receptor ligands ELI LILLY AND COMPANY (US) 2005-01-18 US disclosed
US-20030225068-A1 Piperidyindoles as serotonin receptor ligands ELI LILLY AND COMPANY 2003-12-04 US disclosed
EP-1131321-B1 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS LILLY CO ELI (GB) 2003-09-10 EP disclosed
US-6562830-B1 Compounds which prevent or induce the remission of existing precancerous or cancerous lesions or carcinomas would greatly reduce illness and death from cancer CELL PATHWAYS, INC. 2003-05-13 US disclosed
EP-1286992-A1 PIPERIDYINDOLES AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY (US) 2003-03-05 EP disclosed
US-6329366-B1 HETEROCYCLIC, PIPERIDINE, INDOLE DERIVITIVES FOR TREATMENT OF NERVOUS SYSTEM DISORDERS AND SEROTONIN ANTAGONIST ELI LILLY AND COMPANY LIMITED (GB) 2001-12-11 US disclosed
WO-2001087881-A1 PIPERIDYINDOLES AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY (US) 2001-11-22 WO disclosed
EP-1131321-A2 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 2001-09-12 EP disclosed
WO-2000031074-A2 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 2000-06-02 WO disclosed
WO-1993011102-A1 PREPARATION OF TRISUBSTITUTED BENZOIC ACID PRECURSORS LUDVIK CHARLES N (US) 1993-06-10 WO disclosed
US-5147875-A 2-(SUBSTITUTED PHENYL)-4-OXO-QUINAZOLINES SANSHIN KOGYO KABISHIKI KAISHA (JP) 1992-09-15 US disclosed
EP-0162723-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-29 EP disclosed
US-4981509-A Plant growth regulators E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-01 US disclosed
EP-0371731-A2 Quinazolinone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-06-06 EP disclosed
US-4871847-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-03 US disclosed
US-4849010-A Herbicidal sulfonamides E. I. DUPONT DE NEMOURS AND COMPANY (US) 1989-07-18 US disclosed
US-4724039-A RICE CROP E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-02-09 US disclosed
US-4710221-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-12-01 US disclosed
EP-0162723-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-11-27 EP 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-20030225068-A1 Piperidyindoles as serotonin receptor ligands CNR1, HTR1D, HTR1A DTYMK 4740/4885MCL1 4309/4885TSHR 208/4885

“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.