SCHEMBL18153016

SCHEMBL18153016

CC(=O)Nc1ccc(I)c(Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.50
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
SCN9A Q15858 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
ADORA3 P0DMS8 3/20 0.42
MAPK8 P45983 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
DYRK1A Q13627 1/20 0.39
FSCN1 Q16658 1/20 0.39
NR1I2 O75469 1/20 0.39
AHR P35869 1/20 0.39

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
SCHEMBL31438491 1.00 PTK2 (0.50) PTK2KDM4ELMNASCN9ASCN2A
SCHEMBL10200326 0.80 KDM4E (0.46) PTK2KDM4ELMNASCN9ASCN2A
SCHEMBL1721734 0.79 MAPK8 (0.45) PTK2KDM4ELMNASCN9ASCN2A
SCHEMBL16631609 0.79 KDM4E (0.45) PTK2KDM4ELMNASCN9ASCN2A
SCHEMBL31438597 0.79 KDM4E (0.45) PTK2KDM4ELMNASCN9ASCN2A
SCHEMBL18005192 0.79 PTK2 (0.50) PTK2KDM4ELMNASCN9ASCN2A
SCHEMBL3056162 0.79 SCN9A (0.50) PTK2KDM4ELMNASCN9ASCN2A
SCHEMBL34468682 0.78 ATR (0.48) SCN9ANPC1RAB9ADYRK1AGAA
SCHEMBL28545686 0.73 PTK2 (0.51) PTK2KDM4ELMNASCN9ASCN2A
SCHEMBL18153007 0.72 PTK2 (0.44) PTK2KDM4ELMNASCN9ASCN2A

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
US-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS JANSSEN RESEARCH & DEVELOPMENT, LLC 2023-09-21 US disclosed
EP-4185588-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS Janssen Pharmaceutica NV (BE) 2023-05-31 EP disclosed
CN-116134035-A 3- (1H-imidazol-2-yl) -2,3,8 a-tetrahydroindol-5 (1H) -one derivatives useful as factor XIA inhibitors 詹森药业有限公司 2023-05-16 CN disclosed
EP-3283464-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-10081617-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-25 US disclosed
US-20180079743-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-22 US disclosed
EP-3283464-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-02-21 EP disclosed
WO-2016168098-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 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 (3 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-20180079743-A1 FACTOR XIa INHIBITORS F11, F2, TFPI PTK2 319/4885KDM4E 419/4885LMNA 373/4885
US-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS SERPINC1, F11, TFPI2 PTK2 678/4885KDM4E 1528/4885LMNA 594/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI PTK2 319/4885KDM4E 419/4885LMNA 373/4885

“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.