SCHEMBL3364882

SCHEMBL3364882

COC(=O)c1c2cccc(Br)c2nn1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.45
PABPC1 P11940 1/20 0.42
EIF4H Q15056 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR4A2 P43354 1/20 0.38
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
BRD4 O60885 1/20 0.37
PSMD14 O00487 1/20 0.37
F2 P00734 1/20 0.37
PLAU P00749 1/20 0.37
ELANE P08246 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL3367559 0.83 PRNP (0.38) KDM4EHPGD
SCHEMBL18496493 0.81 HRH4 (0.37) KDM4ECYP2C9LMNA
SCHEMBL20604803 0.81 GRM2 (0.42) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL8296174 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10PABPC1
SCHEMBL20604737 0.78 CYP1A2 (0.40) ALDH1A1KDM4EHPGDHSD17B10PABPC1
SCHEMBL3364428 0.77 GABRG2 (0.41) ALDH1A1KDM4EHPGDHSD17B10PABPC1
SCHEMBL1562180 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10PABPC1
SCHEMBL3364407 0.76 HSD17B10 (0.44) ALDH1A1HPGDHSD17B10SMN1; SMN2F2
SCHEMBL3364253 0.75 NR4A2 (0.41) ALDH1A1KDM4EHPGDHSD17B10PABPC1
SCHEMBL3364683 0.75 TP53 (0.40) ALDH1A1KDM4EHPGDHSD17B10PABPC1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 US disclosed
WO-2024099269-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, USE THEREOF 华东师范大学 2024-05-16 WO disclosed
CN-118026880-A Aryl amide compound, pharmaceutical composition containing same and application thereof 华东师范大学 2024-05-14 CN disclosed
EP-4292662-A2 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2023-12-20 EP disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 US disclosed
EP-3423435-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2023-08-23 EP disclosed
US-11596639-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2023-03-07 US disclosed
CN-109153643-B Substituted indole MCL-1 inhibitors 范德比尔特大学 2022-06-21 CN disclosed
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 US disclosed
CN-107922380-B Microbicidal heterobicyclic derivatives 先正达参股股份有限公司 2021-07-09 CN disclosed
US-20070213373-A1 Indazole derivatives as CRF antagonists COURNOYER RICHARD L 2007-09-13 US disclosed
US-7214699-B2 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-08 US disclosed
US-7214699-B2 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-08 US disclosed
US-7214699-B2 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-08 US disclosed
EP-1656353-A1 GABANERGIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
EP-1569911-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-07 EP disclosed
US-20050101614-A1 For example, 7-(2,4-Dichloro-phenyl)-2-methyl-2H-pyrazolo[4,3-b]pyridine; for treatment of depression, an anxiety disorder, a psychiatric disorder, a learning or cognitive disorder, a sleep disorder, a convulsive or seizure disorder, or pain ROCHE PALO ALTO LLC 2005-05-12 US disclosed
WO-2005016892-A1 GABANERGIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-24 WO disclosed
WO-2004050634-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO disclosed
US-20040110815-A1 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC 2004-06-10 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 (7 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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 ALDH1A1 2556/4885KDM4E 1156/4885HPGD 3190/4885
US-20070213373-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, CRH ALDH1A1 1289/4885KDM4E 4580/4885HPGD 1080/4885
US-20040110815-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, ARRB1 ALDH1A1 1266/4885KDM4E 4580/4885HPGD 1058/4885
US-20050101614-A1 For example, 7-(2,4-Dichloro-phenyl)-2-methyl-2H-pyrazolo[4,3-b]pyridine; for treatment of depression, an anxiety disorder, a psychiatric disorder, a learning or cognitive disorder, a sleep disorder, a convulsive or seizure disorder, or pain HTR2C, GABRA2, GABRA4 ALDH1A1 536/4885KDM4E 449/4885HPGD 719/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 ALDH1A1 2556/4885KDM4E 1156/4885HPGD 3190/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 ALDH1A1 2556/4885KDM4E 1156/4885HPGD 3190/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 ALDH1A1 2556/4885KDM4E 1156/4885HPGD 3190/4885

“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.