SCHEMBL7947758

SCHEMBL7947758

Cc1cc2cccc(C)n2n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 3/20 0.39
ALPL P05186 3/20 0.39
XIAP P98170 3/20 0.39
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
CYP1A2 P05177 2/20 0.34
PARP1 P09874 1/20 0.34
F12 P00748 1/20 0.34
CYP11B2 P19099 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL5847269 0.79 ENPP3 (0.33) ENPP3ALPLXIAPMAPTGAA
SCHEMBL4035386 0.79 AHR (0.35) ENPP3ALPLXIAPMAPTGAA
SCHEMBL13908966 0.79 ENPP3 (0.33) ENPP3ALPLXIAPMAPTGAA
SCHEMBL11652919 0.78 HTR4 (0.41) MAPTGAAHSD17B10ALDH1A1KDM4E
SCHEMBL12986408 0.77 RPA1 (0.41) GAAPOLBALDH1A1KDM4ENPC1
SCHEMBL28445687 0.76 PDE4B (0.38) CYP11B2
SCHEMBL14592081 0.75 NPC1 (0.54) MAPTGAAHSD17B10ALDH1A1KDM4E
SCHEMBL30521268 0.75 KDM4E (0.38) ENPP3ALPLXIAPMAPTHSD17B10
SCHEMBL19857547 0.74 CDK8 (0.43) ENPP3ALPLXIAPGAAHSD17B10
SCHEMBL31309387 0.74 POLB (0.36) ENPP3ALPLXIAPGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118871445-A Fused triazinone derivatives and methods of use thereof 亚根达医疗公司 2024-10-29 CN disclosed
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2023-11-16 US disclosed
EP-4190784-A1 NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2023-06-07 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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 (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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 ENPP3 4161/4885ALPL 4713/4885XIAP 4250/4885
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 ENPP3 3867/4885ALPL 4191/4885XIAP 3579/4885

“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.