SCHEMBL4891807

SCHEMBL4891807

Cn1c(C(=O)O)c(-c2ccccc2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 7/20 0.68
MAPT P10636 5/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
LMNA P02545 1/20 0.68
F2R P25116 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
L3MBTL1 Q9Y468 2/20 0.58
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
EGFR P00533 1/20 0.53
SRC P12931 1/20 0.53
CYP19A1 P11511 1/20 0.52
RAD52 P43351 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
SCHEMBL18102161 0.91 F2RL3 (0.67) F2RL3MAPTMEN1KMT2ALMNA
SCHEMBL11402837 0.90 F2RL3 (0.65) F2RL3MAPTMEN1KMT2ALMNA
SCHEMBL18092629 0.88 F2RL3 (0.64) F2RL3MAPTMEN1KMT2ALMNA
SCHEMBL18092648 0.87 F2RL3 (0.65) F2RL3MAPTMEN1KMT2ALMNA
SCHEMBL4893267 0.85 MAPT (0.69) F2RL3MAPTMEN1KMT2ALMNA
SCHEMBL18092662 0.84 F2RL3 (0.58) F2RL3MAPTMEN1KMT2ALMNA
SCHEMBL8687160 0.79 ACLY (0.62) KMT2AEGFR
SCHEMBL7593404 0.77 KMT2A (0.55) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL18113725 0.77 MEN1 (0.57) F2RL3MAPTMEN1KMT2ALMNA
SCHEMBL11371463 0.77 F2RL3 (0.61) F2RL3MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10859585-B2 Lipid probes and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-08 US disclosed
US-20190293666-A1 LIPID PROBES AND USES THEREOF SCRIPPS RESEARCH INST (US) 2019-09-26 US disclosed
US-10168342-B2 Lipid probes and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2019-01-01 US disclosed
EP-3274712-A1 LIPID PROBES AND USES THEREOF The Scripps Research Institute (US) 2018-01-31 EP disclosed
WO-2016160544-A1 LIPID PROBES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2016-10-06 WO disclosed
WO-2016160544-A1 LIPID PROBES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2016-10-06 WO disclosed
US-20160282369-A1 LIPID PROBES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2016-09-29 US disclosed
US-20160282369-A1 LIPID PROBES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2016-09-29 US disclosed
US-20160282369-A1 LIPID PROBES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2016-09-29 US disclosed
US-20080319046-A1 SUBSTITUTED SULFONAMIDE-INDOLES WYETH (US) 2008-12-25 US disclosed
EP-1682530-B1 PYRROLE SUBSTITUTED INDOLES AS INHIBITORS OF PAI-1 WYETH CORP (US) 2007-05-09 EP disclosed
CN-1882538-A Substituted sulfonamide-indole-2-carboxylic acid derivatives as PAI-1 inhibitors WYETH CORP (US) 2006-12-20 CN disclosed
EP-1682530-A1 SUBSTITUTED PYRROLE-INDOLES AS INHIBITORS OF PAI-1 Wyeth (US) 2006-07-26 EP disclosed
EP-1667969-A1 SUBSTITUTED SULFONAMIDE-INDOLE-2-CARBOXYLIC ACID DERIVATIVES AS PAI-1 INHIBITORS Wyeth (US) 2006-06-14 EP disclosed
US-20050113439-A1 Substituted pyrrole-indoles WYETH (US) 2005-05-26 US disclosed
US-20050096377-A1 Substituted sulfonamide-indoles WYETH (US) 2005-05-05 US disclosed
WO-2005030756-A1 SUBSTITUTED PYRROLE-INDOLES AS INHIBITORS OF PAI-1 WYETH (US) 2005-04-07 WO disclosed
WO-2005030715-A1 SUBSTITUTED SULFONAMIDE-INDOLE-2-CARBOXYLIC ACID DERIVATIVES AS PAI-1 INHIBITORS WYETH (US) 2005-04-07 WO disclosed
US-3953446-A Process for preparing quinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-27 US disclosed
US-3932482-A CARDIOTONIC STERLING DRUG INC. (US) 1976-01-13 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 (3 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-20080319046-A1 SUBSTITUTED SULFONAMIDE-INDOLES STS, TPST2, IDO2 F2RL3 3838/4885MAPT 2124/4885MEN1 3530/4885
US-20050096377-A1 Substituted sulfonamide-indoles STS, TPST2, IDO2 F2RL3 3838/4885MAPT 2124/4885MEN1 3530/4885
US-20050113439-A1 Substituted pyrrole-indoles IDO2, IDO1, TPH2 F2RL3 4047/4885MAPT 935/4885MEN1 2638/4885

“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.