SCHEMBL951041

SCHEMBL951041

CC(=O)NCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.61
SMN1; SMN2 Q16637 1/20 0.56
ACKR3 P25106 1/20 0.56
OPRM1 P35372 1/20 0.56
OPRK1 P41145 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.56
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
RECQL P46063 1/20 0.55
TSHR P16473 1/20 0.54
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
POLB P06746 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
SCHEMBL30791550 1.00 PTPN1 (0.61) PTPN1SMN1; SMN2ACKR3OPRM1OPRK1
SCHEMBL4582840 0.86 PTPN1 (0.63) PTPN1SMN1; SMN2ACKR3OPRM1OPRK1
SCHEMBL16594594 0.85 PTPN1 (0.56) PTPN1SMN1; SMN2ACKR3OPRM1OPRK1
SCHEMBL3066347 0.85 ALDH1A1 (0.61) SMN1; SMN2MEN1KMT2AMAPTTSHR
SCHEMBL4808309 0.84 PTPN1 (0.61) PTPN1ACKR3OPRM1OPRK1MEN1
SCHEMBL2065774 0.84 PTPN1 (0.61) PTPN1SMN1; SMN2ACKR3OPRM1OPRK1
SCHEMBL4631880 0.84 PTPN1 (0.57) PTPN1ACKR3OPRM1OPRK1MEN1
SCHEMBL4865028 0.84 PTPN1 (0.68) PTPN1ACKR3OPRM1OPRK1MEN1
SCHEMBL7462472 0.83 PTPN1 (0.60) PTPN1SMN1; SMN2ACKR3OPRM1OPRK1
SCHEMBL27723504 0.82 PTPN1 (0.59) PTPN1SMN1; SMN2ACKR3OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12486258-B2 Compounds and methods for regulating insulin secretion THE BROAD INSTITUTE, INC. (US) 2025-12-02 US disclosed
US-20230242496-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-08-03 US disclosed
US-20230242496-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-08-03 US disclosed
US-20230142508-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20230142508-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
EP-4164622-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA Icahn School of Medicine at Mount Sinai (US) 2023-04-19 EP disclosed
US-11555031-B2 Compounds and methods for regulating insulin secretion THE BROAD INSTITUTE, INC. (US) 2023-01-17 US disclosed
WO-2021257544-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-12-23 WO disclosed
EP-3601326-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION The Broad Institute, Inc. (US) 2020-02-05 EP disclosed
WO-2018175324-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION THE BROAD INSTITUTE, INC. (US) 2018-09-27 WO disclosed
EP-1727544-A1 USE OF INDAZOLECARBOXAMIDE DERIVATIVES FOR THE PREPARATION OF A MEDICAMENT THAT IS INTENDED FOR THE TREATMENT AND PREVENTION OF PALUDISM Sanofi-Aventis (FR) 2006-12-06 EP disclosed
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2006-01-05 US disclosed
WO-2005099703-A1 USE OF INDAZOLECARBOXAMIDE DERIVATIVES FOR THE PREPARATION OF A MEDICAMENT THAT IS INTENDED FOR THE TREATMENT AND PREVENTION OF PALUDISM SANOFI-AVENTIS (FR) 2005-10-27 WO disclosed
EP-1549620-A1 INDAZOLECARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS CDK1, CDK2 AND CDK4 INHIBITORS Sanofi-Aventis (FR) 2005-07-06 EP disclosed
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
WO-2004031158-A1 INDAZOLECARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS CDK1, CDK2 AND CDK4 INHIBITORS SANOFI-AVENTIS (FR) 2004-04-15 WO disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
CN-1310169-A Anils with nitric oxide synzyme inhibiting function SHUGAI SEIYAKU K K (JP) 2001-08-29 CN disclosed
CN-1172473-A Aniline derivatives having nitric oxide synthase inhibitory activity CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-02-04 CN disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 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 (5 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-20230142508-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION IAPP, GPR119, PNLIP PTPN1 2335/4885SMN1; SMN2 4513/4885ACKR3 2998/4885
US-20230242496-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA BCL6, SOX18, BCL3 PTPN1 2922/4885SMN1; SMN2 4270/4885ACKR3 2478/4885
US-11555031-B2 Compounds and methods for regulating insulin secretion IAPP, GPR119, INSR PTPN1 2028/4885SMN1; SMN2 4326/4885ACKR3 3564/4885
US-12486258-B2 Compounds and methods for regulating insulin secretion IAPP, GPR119, PNLIP PTPN1 2335/4885SMN1; SMN2 4513/4885ACKR3 2998/4885
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors CDK2, CDK1, CDK4 PTPN1 2893/4885SMN1; SMN2 2906/4885ACKR3 2134/4885

“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.