SCHEMBL8040045

SCHEMBL8040045

COc1cccc2nc(C)sc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.47
ELANE P08246 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
G6PD P11413 1/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 4/20 0.43
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
DCPS Q96C86 1/20 0.42
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2748734 0.79 NQO2 (0.46) NQO2ELANENPC1RAB9ALMNA
SCHEMBL2749006 0.79 ALDH1A1 (0.58) NQO2ELANENPC1RAB9ALMNA
SCHEMBL84829 0.79 CYP3A4 (0.57) NQO2ELANENPC1RAB9ALMNA
SCHEMBL6691814 0.78 ALDH1A1 (0.47) NQO2ELANENPC1RAB9ALMNA
SCHEMBL6901949 0.78 HSP90AA1 (0.48) NQO2ELANENPC1RAB9ALMNA
SCHEMBL7958840 0.78 RAB9A (0.49) NQO2NPC1RAB9ALMNAMAPT
SCHEMBL31063715 0.78 RAB9A (0.49) NQO2NPC1RAB9ALMNAMAPT
SCHEMBL8050983 0.77 SETDB1 (0.43) NPC1RAB9ALMNAPOLBMAPT
SCHEMBL2138255 0.77 MEN1 (0.62) NQO2ELANENPC1RAB9ALMNA
SCHEMBL617907 0.77 KDM4E (0.46) NPC1RAB9ALMNAPOLBMAPT

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
WO-2024200263-A1 2-STYRYLBENZOTHIAZOLE DERIVATIVES AS α-SYNUCLEIN BINDING COMPOUNDS EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2024-10-03 WO disclosed
EP-4438597-A1 2-STYRYLBENZOTHIAZOLE DERIVATIVES AS A-SYNUCLEIN BINDING COMPOUNDS Eberhard Karls Universität Tübingen Medizinische Fakultät (DE) 2024-10-02 EP disclosed
US-9624211-B2 Anti-cancer compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-18 US disclosed
US-20160145250-A1 ANTI-CANCER COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-05-26 US disclosed
US-6130217-A ANTITUMOR PFIZER INC (US) 2000-10-10 US disclosed
WO-1994022846-A1 COMPOUNDS ENHANCING ANTITUMOR ACTIVITY OF OTHER CYTOTOXIC AGENTS PFIZER INC. (US) 1994-10-13 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-20160145250-A1 ANTI-CANCER COMPOUNDS SKP2, TP53, TEAD2 NQO2 367/4885ELANE 4445/4885NPC1 2547/4885

“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.