SCHEMBL17864260

SCHEMBL17864260

Fc1cc(C(F)(F)F)ccc1CI

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.58
DAO P14920 1/20 0.46
SLC6A4 P31645 3/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
PDE2A O00408 3/20 0.43
MPL P40238 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
FFAR1 O14842 1/20 0.36
PTPN5 P54829 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
PKLR P30613 1/20 0.35
GAA P10253 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
POLQ O75417 1/20 0.34

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
SCHEMBL27634838 0.83 IDO1 (0.58) IDO1DAOSLC6A4SLC6A2SLC6A3
SCHEMBL5325907 0.79 IDO1 (0.58) IDO1DAOSLC6A4SLC6A2SLC6A3
SCHEMBL6789942 0.79 IDO1 (0.58) IDO1DAOSLC6A4SLC6A2SLC6A3
SCHEMBL1117948 0.79 IDO1 (0.58) IDO1DAOSLC6A4SLC6A2SLC6A3
SCHEMBL7977134 0.79 IDO1 (0.62) IDO1DAOSLC6A4SLC6A2SLC6A3
SCHEMBL507107 0.79 IDO1 (0.62) IDO1DAOSLC6A4SLC6A2SLC6A3
SCHEMBL145556 0.79 IDO1 (0.58) IDO1DAOSLC6A4SLC6A2SLC6A3
SCHEMBL29738028 0.79 IDO1 (0.58) IDO1DAOSLC6A4SLC6A2SLC6A3
SCHEMBL857195 0.79 IDO1 (0.58) IDO1DAOSLC6A4SLC6A2SLC6A3
SCHEMBL17864251 0.79 DAO (0.46) IDO1DAOSLC6A4PTPN5POLQ

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-12-14 US disclosed
US-20200190093-A1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-18 US disclosed
WO-2016100166-A1 SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-c]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-23 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 (2 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-20200190093-A1 SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPM5 IDO1 929/4885DAO 1236/4885SLC6A4 325/4885
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity TRPC5, TRPM5, TRPC4 IDO1 1463/4885DAO 1365/4885SLC6A4 433/4885

“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.