SCHEMBL671559

SCHEMBL671559

O=C1N[C@@H](c2ccccc2)[C@H](C(=O)O)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
TNKS2 Q9H2K2 1/20 0.44
PARP3 Q9Y6F1 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.40
EDNRA P25101 2/20 0.40
EDNRB P24530 1/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
PARP1 P09874 1/20 0.40
FFAR1 O14842 1/20 0.39
HTT P42858 1/20 0.39
MDM2 Q00987 3/20 0.39

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
SCHEMBL671561 1.00 HSD17B10 (0.45) HSD17B10TNKS2PARP3ALDH1A1CYP1A2
SCHEMBL671560 1.00 HSD17B10 (0.45) HSD17B10TNKS2PARP3ALDH1A1CYP1A2
Isophthalic Acid SCHEMBL27999411 0.89 KMT2A (0.42) HSD17B10PARP3ALDH1A1FFAR1
SCHEMBL6410860 0.82 TACR1 (0.38) HSD17B10TNKS2ALDH1A1EDNRAEDNRB
SCHEMBL6410861 0.82 TACR1 (0.38) HSD17B10TNKS2ALDH1A1EDNRAEDNRB
SCHEMBL6664525 0.82 TACR1 (0.38) HSD17B10TNKS2ALDH1A1EDNRAEDNRB
SCHEMBL9204212 0.77 TNKS2 (0.46) HSD17B10TNKS2PARP3ALDH1A1CYP1A2
SCHEMBL9204202 0.77 TNKS2 (0.46) HSD17B10TNKS2PARP3ALDH1A1CYP1A2
SCHEMBL9204206 0.77 TNKS2 (0.46) HSD17B10TNKS2PARP3ALDH1A1CYP1A2
SCHEMBL6416249 0.76 KDM4E (0.51) ALDH1A1CYP1A2HTTMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073920-B2 Substituted dibenzonaphthyridines, pharmaceutical uses thereof and processes therfor PURDUE RESEARCH FOUNDATION (US) 2015-07-07 US disclosed
US-20130143878-A1 SUBSTITUTED DIBENZONAPHTHYRIDINES, PHARMACEUTICAL USES THEREOF AND PROCESSES THERFOR PURDUE RESEARCH FOUNDATION (US) 2013-06-06 US disclosed
WO-2012024437-A1 SUBSTITUTED DIBENZONAPHTHYRIDINES, PHARMACEUTICAL USES THEREOF AND PROCESSES THERFOR PURDUE RESEARCH FOUNDATION (US) 2012-02-23 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 (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-20130143878-A1 SUBSTITUTED DIBENZONAPHTHYRIDINES, PHARMACEUTICAL USES THEREOF AND PROCESSES THERFOR KRAS, QDPR, BTD HSD17B10 3124/4885TNKS2 364/4885PARP3 78/4885

“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.