SCHEMBL1301646

SCHEMBL1301646

CCOC(=O)c1cc2cccc(Br)c2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.58
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 2/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 1/20 0.58
GLA P06280 1/20 0.58
GAA P10253 1/20 0.58
KMT2A Q03164 1/20 0.58
ATM Q13315 1/20 0.58
CDK1 P06493 1/20 0.57
CCNB1 P14635 1/20 0.57
HSD17B10 Q99714 1/20 0.52
HRH4 Q9H3N8 1/20 0.52
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL31501858 1.00 RAB9A (0.58) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4040141 0.85 KDM4E (0.61) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL31501839 0.85 KDM4E (0.61) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4045458 0.84 RAB9A (0.59) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL10506586 0.84 ALDH1A1 (0.59) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL18512251 0.84 XDH (0.64) KDM4ELMNAGLAGAAHRH4
SCHEMBL4040538 0.83 CDK1 (0.54) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL29865409 0.83 KDM4E (0.58) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4040550 0.83 KDM4E (0.58) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6307061 0.83 CDK1 (0.75) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4103559-B1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2026-03-04 EP disclosed
US-20250353848-A1 HETEROCYCLIC PAD4 INHIBITORS CELGENE CORPORATION 2025-11-20 US disclosed
US-12473304-B2 Heterocyclic PAD4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-11-18 US disclosed
US-20250346592-A1 HETEROCYCLIC PAD4 INHIBITORS CELGENE CORPORATION 2025-11-13 US disclosed
WO-2025101780-A1 PHARMACOLOGICAL CORRECTORS OF RHODOPSIN AND USES THEREOF OCTANT, INC. (US) 2025-05-15 WO disclosed
EP-4531849-A1 HETEROCYCLIC PAD4 INHIBITORS CELGENE CORPORATION (US) 2025-04-09 EP disclosed
CN-115348961-B Heterocyclic PAD4 inhibitors 百时美施贵宝公司 2025-03-04 CN disclosed
EP-4219460-B1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA INC (US) 2025-02-26 EP disclosed
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC., 2025-01-09 US disclosed
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2024-11-26 US disclosed
US-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-03 US disclosed
US-6844345-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-18 US disclosed
WO-2004101767-A2 CBI ANALOGUES OF THE DUOCARMYCINS AND CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2004-11-25 WO disclosed
EP-1370561-A2 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-17 EP disclosed
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 US disclosed
EP-1325008-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-07-09 EP disclosed
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 US disclosed
WO-2002072584-A2 TETRAHYDRO-PYRAZINO (1,2-A) INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-19 WO disclosed
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles VERNALIS RESEARCH LIMITED, A BRITISH COMPANY (GB) 2002-03-21 US disclosed
WO-2002010169-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 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 (9 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-20250353848-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI1, PADI6 RAB9A 4339/4885KDM4E 198/4885ALDH1A1 163/4885
US-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 CCNI, SP1, DCK RAB9A 4115/4885KDM4E 1508/4885ALDH1A1 4597/4885
US-12473304-B2 Heterocyclic PAD4 inhibitors PADI6, PADI4, PADI1 RAB9A 3350/4885KDM4E 195/4885ALDH1A1 411/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 RAB9A 2492/4885KDM4E 2034/4885ALDH1A1 4148/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 RAB9A 2492/4885KDM4E 2034/4885ALDH1A1 4148/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 RAB9A 1896/4885KDM4E 1176/4885ALDH1A1 254/4885
US-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 RAB9A 3381/4885KDM4E 2045/4885ALDH1A1 1203/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A RAB9A 1839/4885KDM4E 657/4885ALDH1A1 225/4885
US-20250346592-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI6, PADI2 RAB9A 4548/4885KDM4E 135/4885ALDH1A1 183/4885

“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.