SCHEMBL830598

SCHEMBL830598

COc1cccc(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.70
RAB9A P51151 9/20 0.70
SMN1; SMN2 Q16637 8/20 0.70
ALDH1A1 P00352 6/20 0.70
KDM4E B2RXH2 6/20 0.70
PKM P14618 2/20 0.70
TP53 P04637 4/20 0.67
HPGD P15428 4/20 0.67
HSD17B10 Q99714 2/20 0.67
NR1I2 O75469 1/20 0.67
CYP1A2 P05177 1/20 0.67
VDR P11473 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2B6 P20813 1/20 0.67
AHR P35869 1/20 0.67
NR1I3 Q14994 1/20 0.67
TSHR P16473 1/20 0.67
NFKB1 P19838 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67

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
SCHEMBL29528892 1.00 NPC1 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL179157 0.88 NPC1 (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL19876187 0.88 ALDH1A1 (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL16147181 0.88 NPC1 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3417301 0.84 NPC1 (0.78) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL23758270 0.83 AURKA (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL23736199 0.83 TP53 (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL31679074 0.83 TP53 (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL31154259 0.83 NPC1 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2242715 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684736-B1 DNA DAMAGE REPAIR INHIBITORS FOR TREATMENT OF CANCER KUDOS PHARM LTD (GB) 2011-08-24 EP claimed
US-20250381221-A1 Compositions and Methods for Treating Cancer IN8BIO INC (US) 2025-12-18 US disclosed
US-20250161247-A1 METHOD FOR TREATING BREAST CANCERS AND PARP RESISTANT BREAST CANCERS LANTERN PHARMA INC. (US) 2025-05-22 US disclosed
US-20240299322-A1 TREATING CANCERS WITH COMBINATIONS OF PARP INHIBITOR AND ACYLFULVENES LANTERN PHARMA INC. (US) 2024-09-12 US disclosed
US-20240245643-A1 DNA Damage Repair Inhibitors for Treatment of Cancer THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-07-25 US disclosed
CN-116635028-A Modulators of c-MYC mRNA translation and their use in the treatment of cancer 艾尼莫生物科技公司 2023-08-22 CN disclosed
US-20220339179-A1 TREATMENT OF HR DEFICIENT CANCER THE FRANCIS CRICK INSTITUTE LIMITED (GB) 2022-10-27 US disclosed
EP-4028009-A1 TREATMENT OF HR DEFICIENT CANCER The Francis Crick Institute Limited (GB) 2022-07-20 EP disclosed
US-20220047554-A1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS UNIVERSITY OF VIRGINIA 2022-02-17 US disclosed
US-11162095-B2 Use of a combination of Dbait molecule and PARP inhibitors to treat cancer INSTITUT CURIE (FR) 2021-11-02 US disclosed
EP-2167086-A1 COMBINATION OF CHK AND PARP INHIBITORS FOR THE TREATMENT OF CANCERS AstraZeneca AB (SE) 2010-03-31 EP disclosed
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT (OXFORD) LIMITED (GB) 2009-03-19 US disclosed
WO-2008146035-A1 COMBINATION OF CHK AND PARP INHIBITORS FOR THE TREATMENT OF CANCERS ASTRAZENECA AB (SE) 2008-12-04 WO disclosed
EP-1986633-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit Corporation Plc (GB) 2008-11-05 EP disclosed
WO-2008020180-A2 METHODS OF INCREASING THE SENSITIVITY OF CANCER CELLS TO DNA DAMAGE KUDOS PHARMACEUTICALS LIMITED (GB) 2008-02-21 WO disclosed
WO-2007091106-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2007-08-16 WO disclosed
EP-1684736-A1 DNA DAMAGE REPAIR INHIBITORS FOR TREATMENT OF CANCER Kudos Pharmaceuticals Limited (GB) 2006-08-02 EP disclosed
US-20060142231-A1 DNA damage repair inhibitors for treatment of cancer KUDOS PHARMACEUTICALS LIMITED (GB) 2006-06-29 US disclosed
US-20050227919-A1 DNA damage repair inhibitors for the treatment of cancer KUDOS PHARMACEUTICALS LIMITED 2005-10-13 US disclosed
WO-2005053662-A1 DNA DAMAGE REPAIR INHIBITORS FOR TREATMENT OF CANCER KUDOS PHARMACEUTICALS LIMITED (GB) 2005-06-16 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 (8 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-20250161247-A1 METHOD FOR TREATING BREAST CANCERS AND PARP RESISTANT BREAST CANCERS PARP1, PARP2, PARP3 NPC1 4253/4885RAB9A 3131/4885SMN1; SMN2 3235/4885
US-11162095-B2 Use of a combination of Dbait molecule and PARP inhibitors to treat cancer PARP10, PARP1, PARP3 NPC1 3786/4885RAB9A 3874/4885SMN1; SMN2 4380/4885
US-20240299322-A1 TREATING CANCERS WITH COMBINATIONS OF PARP INHIBITOR AND ACYLFULVENES PARP1, PARP2, PARP11 NPC1 3852/4885RAB9A 2558/4885SMN1; SMN2 2427/4885
US-20240245643-A1 DNA Damage Repair Inhibitors for Treatment of Cancer PARP2, MRE11, PARP1 NPC1 4490/4885RAB9A 2456/4885SMN1; SMN2 3971/4885
US-20060142231-A1 DNA damage repair inhibitors for treatment of cancer MRE11, PARP2, ERCC4 NPC1 4486/4885RAB9A 2751/4885SMN1; SMN2 4031/4885
US-20220047554-A1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS SCN3A, SCN1B, SCN2B NPC1 483/4885RAB9A 2068/4885SMN1; SMN2 228/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 NPC1 3637/4885RAB9A 4325/4885SMN1; SMN2 9/4885
US-20050227919-A1 DNA damage repair inhibitors for the treatment of cancer MRE11, ERCC4, PARP2 NPC1 4509/4885RAB9A 2633/4885SMN1; SMN2 4046/4885

“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.