SCHEMBL5773496

SCHEMBL5773496

CNc1n[nH]c2ccc(Cl)cc12

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 7/20 0.60
CCNC P24863 2/20 0.49
CDK8 P49336 2/20 0.49
MCHR1 Q99705 3/20 0.48
MAT2A P31153 1/20 0.46
TRPA1 O75762 2/20 0.45
GSK3B P49841 2/20 0.44
MAPK1 P28482 1/20 0.43
GRM4 Q14833 1/20 0.43

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
Hydrochloric Acid SCHEMBL28378770 0.98 FADS1 (0.59) FADS1CCNCCDK8MCHR1MAT2A
SCHEMBL26393486 0.84 HDAC6 (0.50) FADS1CCNCCDK8TRPA1GSK3B
SCHEMBL11697624 0.82 FADS1 (0.60) FADS1MCHR1TRPA1GSK3B
SCHEMBL7214763 0.80 FADS1 (0.56) FADS1CCNCCDK8GSK3BMAPK1
SCHEMBL2671952 0.79 PDPK1 (0.58) FADS1CCNCCDK8GSK3B
SCHEMBL7214758 0.79 GSK3B (0.44) FADS1CCNCCDK8GSK3BMAPK1
SCHEMBL26400882 0.79 MAP2K7 (0.50) FADS1CCNCCDK8GSK3BMAPK1
SCHEMBL2431672 0.79 FADS1 (0.55) FADS1GSK3BMAPK1
SCHEMBL4007120 0.79 GSK3B (0.69) FADS1CCNCCDK8GSK3BGRM4
SCHEMBL26394241 0.77 HDAC6 (0.48) FADS1CCNCCDK8GSK3BGRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166117-B Heteroaromatic compounds as VANIN inhibitors 勃林格殷格翰国际公司 2025-04-15 CN disclosed
CN-113166117-A Heteroaromatic compounds as VANIN inhibitors 勃林格殷格翰国际公司 2021-07-23 CN disclosed
US-11021463-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
EP-3169325-B1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-04-28 EP disclosed
CN-107072985-B Therapeutic inhibiting compounds 莱福斯希医药公司 2020-02-07 CN disclosed
US-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 US disclosed
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 US disclosed
US-10266515-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-04-23 US disclosed
US-10259803-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-04-16 US disclosed
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2018-06-21 US disclosed
US-20170260163-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-09-14 US disclosed
EP-3169325-A1 THERAPEUTIC INHIBITORY COMPOUNDS Lifesci Pharmaceuticals, Inc. (BB) 2017-05-24 EP disclosed
US-9611252-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2017-04-04 US disclosed
WO-2017001924-A1 THERAPEUTIC INHIBITORY COMPOUDS LIFESCI PHARMACEUTICALS, INC. (BB) 2017-01-05 WO disclosed
US-20160200704-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2016-07-14 US disclosed
WO-2016011209-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2016-01-21 WO disclosed
WO-2006066899-A1 NOVEL THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2006-06-29 WO disclosed
EP-1674464-A1 Novel thrombin inhibitors Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2006-06-28 EP disclosed
EP-1655296-A1 Thrombin inhibitors Graffinity Pharmaceuticals AG (DE) 2006-05-10 EP disclosed
WO-2006045459-A1 THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2006-05-04 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-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 FADS1 1772/4885CCNC 2745/4885CDK8 804/4885
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 FADS1 1772/4885CCNC 2745/4885CDK8 804/4885
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 FADS1 1772/4885CCNC 2745/4885CDK8 804/4885
US-20170260163-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 FADS1 1772/4885CCNC 2745/4885CDK8 804/4885
US-20160200704-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 FADS1 1772/4885CCNC 2745/4885CDK8 804/4885
US-10266515-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 FADS1 1772/4885CCNC 2745/4885CDK8 804/4885
US-10259803-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 FADS1 1772/4885CCNC 2745/4885CDK8 804/4885
US-11021463-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 FADS1 1772/4885CCNC 2745/4885CDK8 804/4885

“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.