SCHEMBL22168317

SCHEMBL22168317

COc1nc(C)ccc1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
RAB9A P51151 8/20 0.38
NPC1 O15118 7/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
TP53 P04637 3/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
MAT2A P31153 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL14790627 0.78 APOBEC3A (0.33) APOBEC3AAPOBEC3GRAB9ANPC1SMN1; SMN2
SCHEMBL5839510 0.77 POLB (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL10075373 0.76 APOBEC3A (0.42) APOBEC3AAPOBEC3GRAB9ANPC1SMN1; SMN2
SCHEMBL2413148 0.76 CCR4 (0.33) ALDH1A1CCR5CYP1A2CYP2C19
SCHEMBL2458145 0.76 APP (0.33) ALDH1A1CYP1A2CYP2C19
SCHEMBL31373313 0.76 CCR4 (0.33) ALDH1A1CCR5CYP1A2CYP2C19
SCHEMBL17477974 0.76 CRHBP (0.41) SMN1; SMN2ALDH1A1MAPTHPGDLMNA
SCHEMBL10304986 0.74 RAB9A (0.45) APOBEC3AAPOBEC3GRAB9ANPC1SMN1; SMN2
SCHEMBL10048739 0.74 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP2C19
SCHEMBL24729157 0.73 APOBEC3A (0.40) APOBEC3AAPOBEC3GRAB9ANPC1SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025106863-A1 LACTAM DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2025-05-22 WO disclosed
US-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF SHANGHAI QILU PHARMACEUTICAL RESEARCH AND DEVELOPMENT CENTRE LTD. (CN) 2024-10-24 US disclosed
EP-4378938-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-06-05 EP disclosed
CN-117642393-A Novel PARP7 inhibitor and application thereof 上海齐鲁制药研究中心有限公司 2024-03-01 CN disclosed
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO disclosed
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO disclosed
WO-2020216371-A1 EGFR INHIBITOR AND APPLICATION THEREOF 江苏先声药业有限公司 2020-10-29 WO disclosed
WO-2020135771-A1 HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2020-07-02 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-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF PARP6, PARP4, PARP3 APOBEC3A 1234/4885APOBEC3G 931/4885RAB9A 2808/4885

“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.