SCHEMBL17067686

SCHEMBL17067686

Oc1cccc2ccc3ccc(-c4ccccc4)nc3c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.54
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
RAB9A P51151 1/20 0.45
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
KDM4E B2RXH2 3/20 0.42
AR P10275 1/20 0.42
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
METAP2 P50579 2/20 0.41
PLAU P00749 1/20 0.41
NCF1 P14598 1/20 0.41
CYP19A1 P11511 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL564494 0.87 PARP1 (0.58) PARP1KMT2AMEN1RAB9AIDO1
SCHEMBL29729655 0.87 PARP1 (0.58) PARP1KMT2AMEN1RAB9AIDO1
SCHEMBL30457867 0.86 PARP1 (0.57) PARP1KMT2AMEN1RAB9AIDO1
SCHEMBL29040616 0.86 PARP1 (0.57) PARP1KMT2AMEN1RAB9AIDO1
SCHEMBL29040612 0.86 PARP1 (0.57) PARP1KMT2AMEN1RAB9AIDO1
SCHEMBL6431677 0.86 PARP1 (0.57) PARP1KMT2AMEN1RAB9AIDO1
Lithium SCHEMBL17924084 0.86 PARP1 (0.57) PARP1KMT2AMEN1RAB9AIDO1
SCHEMBL16586107 0.86 PARP1 (0.57) PARP1KMT2AMEN1RAB9AIDO1
SCHEMBL12926852 0.83 METAP2 (0.41) KMT2AMEN1RAB9AIDO1KDM4E
SCHEMBL1753930 0.77 MEN1 (0.59) PARP1KMT2AMEN1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109994644-B Organic light emitting diode display device 乐金显示有限公司 2021-07-13 CN disclosed
US-9926618-B2 Extracting agent for separating lithium isotopes and use thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-03-27 US disclosed
US-20150299822-A1 EXTRACTING AGENT FOR SEPARATING LITHIUM ISOTOPES AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-10-22 US disclosed
US-20150299822-A1 EXTRACTING AGENT FOR SEPARATING LITHIUM ISOTOPES AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-10-22 US disclosed
EP-2915576-A1 EXTRACTING AGENT FOR SEPARATING LITHIUM ISOTOPES AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2015-09-09 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 (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-20150299822-A1 EXTRACTING AGENT FOR SEPARATING LITHIUM ISOTOPES AND USE THEREOF TCF7L2, LUC7L2, CDK7 PARP1 3182/4885KMT2A 641/4885MEN1 2316/4885

“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.