SCHEMBL3127989

SCHEMBL3127989

COc1ccc2c(C(=O)C(N)=O)c[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.66
TUBB1 Q9H4B7 2/20 0.64
NR4A2 P43354 1/20 0.54
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 3/20 0.53
NPC1 O15118 1/20 0.53
ALOX15 P16050 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MITF O75030 1/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTR2A P28223 1/20 0.50
RECQL P46063 1/20 0.49
MTNR1A P48039 1/20 0.49

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
SCHEMBL1858919 0.88 NR4A2 (0.69) MAPTNR4A2ALDH1A1KDM4ENPC1
SCHEMBL3660284 0.88 MAPT (0.69) MAPTTUBB1NR4A2ALDH1A1KDM4E
SCHEMBL1559335 0.87 MAPT (0.68) MAPTTUBB1NR4A2ALDH1A1KDM4E
SCHEMBL6029910 0.85 MAPT (0.66) MAPTTUBB1NR4A2ALDH1A1KDM4E
SCHEMBL1559431 0.85 MAPT (0.70) MAPTTUBB1NR4A2ALDH1A1KDM4E
SCHEMBL590922 0.84 MAPT (0.73) MAPTTUBB1NR4A2ALDH1A1KDM4E
SCHEMBL30075344 0.84 MAPT (0.73) MAPTTUBB1NR4A2ALDH1A1KDM4E
SCHEMBL12480809 0.83 MAPT (0.71) MAPTTUBB1NR4A2ALDH1A1KDM4E
SCHEMBL25229260 0.83 MAPT (0.63) MAPTTUBB1NR4A2ALDH1A1KDM4E
SCHEMBL31501108 0.82 NR4A2 (0.78) MAPTTUBB1NR4A2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO claimed
US-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF Ikena Oncology, Inc. 2021-09-30 US disclosed
US-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF Ikena Oncology, Inc. 2021-09-30 US disclosed
WO-2021127302-A1 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 WO disclosed
US-9548460-B2 Compound for organic optoelectronic device, organic light emitting diode including the same and display including the organic light emitting diode CHEIL INDUSTRIES, INC. (KR) 2017-01-17 US disclosed
WO-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed
WO-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO disclosed
US-7109229-B2 Methods and compounds for treating proliferative diseases ELI LILLY AND COMPANY (US) 2006-09-19 US disclosed
EP-1325011-B1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES LILLY CO ELI (US) 2004-05-06 EP disclosed
US-20040048915-A1 Methods and compounds for treating proliferative diseases ENGLER THOMAS ALBERT (US) 2004-03-11 US disclosed
EP-1325011-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2003-07-09 EP disclosed
WO-2002028861-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-04-11 WO 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 (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-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 MAPT 4673/4885TUBB1 4234/4885NR4A2 75/4885
US-20040048915-A1 Methods and compounds for treating proliferative diseases CDK4, CCNI, CCNA1 MAPT 3228/4885TUBB1 197/4885NR4A2 1135/4885

“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.