SCHEMBL432574

SCHEMBL432574

O=c1ccc2c[c]ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.52
CA9 Q16790 5/20 0.52
CA1 P00915 1/20 0.52
CA3 P07451 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA13 Q8N1Q1 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
PDE3B Q13370 4/20 0.46
PDE3A Q14432 4/20 0.46
F11 P03951 1/20 0.46
MAPK1 P28482 1/20 0.37
AR P10275 1/20 0.37
MAPT P10636 2/20 0.32
PKM P14618 1/20 0.32
IDO1 P14902 1/20 0.31
TBXAS1 P24557 1/20 0.31

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
SCHEMBL448375 0.83 CA12 (0.52) CA12CA9CA1CA3CA4
SCHEMBL9203718 0.75 ALDH1A1 (0.52) PDE3BPDE3A
Charcoal, Activated SCHEMBL30805655 0.71 CA12 (0.95) CA12CA9CA1CA3CA4
Water SCHEMBL27273100 0.71 CA12 (0.95) CA12CA9CA1CA3CA4
Water SCHEMBL28196051 0.71 CA12 (0.95) CA12CA9CA1CA3CA4
Water SCHEMBL29567423 0.71 CA12 (0.95) CA12CA9CA1CA3CA4
Water SCHEMBL10661261 0.71 CA12 (0.95) CA12CA9CA1CA3CA4
SCHEMBL25189860 0.71 PDE3B (0.31) PDE3BPDE3A
SCHEMBL7372883 0.71 BRD4 (0.59) CA12CA9MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7181614 0.70 CA12 (0.91) CA12CA9CA1CA3CA4

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 232 patents — showing the first 20. 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 claimed
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 claimed
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 claimed
WO-2021141507-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A3, THEIR SYNTHESIS AND USE Uniwersytet Jagielloński (PL) 2021-07-15 WO claimed
WO-2021141506-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A1, THEIR SYNTHESIS AND USE Uniwersytet Jagielloński (PL) 2021-07-15 WO claimed
US-20140336169-A1 IMIDAZOPYRAZINE SYK INHIBITORS GILEAD CONNECTICUT, INC. (US) 2014-11-13 US claimed
US-8748607-B2 Imidazopyrizine syk inhibitors GILEAD CONNECTICUT, INC. (US) 2014-06-10 US claimed
US-20130237521-A1 IMIDAZOPYRIZINE SYK INHIBITORS GILEAD CONNECTICUT, INC. (US) 2013-09-12 US claimed
US-20130237520-A1 IMIDAZOPYRAZINE SYK INHIBITORS GILEAD CONNECTICUT, INC. (US) 2013-09-12 US claimed
US-8455493-B2 Imidazopyrazine Syk inhibitors GILEAD CONNECTICUT, INC. (US) 2013-06-04 US claimed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO claimed
EP-0462830-A2 Cyclic ether derivatives ZENECA LIMITED (GB) 1991-12-27 EP claimed
EP-0420511-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-03 EP claimed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO claimed
EP-0385679-A2 Heterocyclic cyclic ethers with inhibitory activity on 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP claimed
EP-0385663-A2 Heterocyclic cycloalkanes as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP claimed
EP-0385662-A2 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP claimed
EP-0385680-A2 Heterocyclic ethers as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1990-09-05 EP claimed
EP-0381375-A1 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-08 EP claimed
US-4775747-A PIGMENTS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1988-10-04 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20130237520-A1 IMIDAZOPYRAZINE SYK INHIBITORS SYK, BTK, ZAP70 CA12 4089/4885CA9 4660/4885CA1 4349/4885
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 CA12 3198/4885CA9 1880/4885CA1 2474/4885
US-20140336169-A1 IMIDAZOPYRAZINE SYK INHIBITORS SYK, BTK, ZAP70 CA12 4089/4885CA9 4660/4885CA1 4349/4885
US-20130237521-A1 IMIDAZOPYRIZINE SYK INHIBITORS SYK, ZAP70, BTK CA12 4136/4885CA9 4399/4885CA1 4290/4885

“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.