SCHEMBL1683642

SCHEMBL1683642

O=C(c1csc(C2=CCCC=C2)n1)c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
LMNA P02545 2/20 0.35
PIM1 P11309 4/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PIM3 Q86V86 1/20 0.33
HTR2B P41595 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ROCK1 Q13464 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
HSD17B14 Q9BPX1 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 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
SCHEMBL4427216 0.83 CNR2 (0.47) NPC1RAB9AKDM4ETLR7
SCHEMBL1683987 0.81 TLR7 (0.44) KMT2AKDM4ETLR7
SCHEMBL1683603 0.77 HDAC1 (0.56) ATMLMNAMEN1NPC1RAB9A
SCHEMBL9954603 0.76 ALDH1A1 (0.45) HDAC1HDAC8HDAC6KDM4E
SCHEMBL1683750 0.76 MAPK14 (0.33) LMNANPC1CES2CES1HSD17B14
SCHEMBL4415764 0.76 PDE4B (0.35) MEN1NPC1RAB9AKMT2ACES2
SCHEMBL1683643 0.73 ALDH1A1 (0.41) LMNAMEN1NPC1RAB9AKMT2A
SCHEMBL1683709 0.72 CNR2 (0.48) MEN1NPC1RAB9AKMT2ACES2
SCHEMBL1683754 0.71 FGFR2 (0.38) HDAC1HDAC8HDAC6
SCHEMBL4423934 0.70 ALDH1A1 (0.50) LMNAHDAC1HDAC8HDAC6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865196-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2020-12-15 US disclosed
US-10301285-B2 Compounds for treatment of cancer GTX, INC. (US) 2019-05-28 US disclosed
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2019-03-28 US disclosed
EP-2303021-B1 COMPOUNDS FOR THE TREATMENT OF CANCER UNIV TENNESSEE RES FOUND (US) 2018-12-19 EP disclosed
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2018-04-05 US disclosed
EP-3289876-A1 COMPOUNDS FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2018-03-07 EP disclosed
EP-2959900-A1 COMPOUND FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2015-12-30 EP disclosed
US-9029408-B2 Compounds for treatment of cancer GTX, INC. (US) 2015-05-12 US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 US disclosed
US-8592465-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-11-26 US disclosed
EP-2303021-A2 COMPOUNDS FOR THE TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2011-04-06 EP disclosed
WO-2010074776-A2 COMPOUNDS FOR THE TREATMENT OF CANCER THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-07-01 WO disclosed
US-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-12-31 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 (6 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-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER HCCS, NQO1, CCNY ATM 906/4885LMNA 1055/4885PIM1 4387/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 ATM 1749/4885LMNA 1128/4885PIM1 3991/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 ATM 1749/4885LMNA 1128/4885PIM1 3991/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ATM 1749/4885LMNA 1128/4885PIM1 3991/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ATM 1749/4885LMNA 1128/4885PIM1 3991/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ATM 1749/4885LMNA 1128/4885PIM1 3991/4885

“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.