SCHEMBL18378990

SCHEMBL18378990

O=CNCc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KMT2A Q03164 5/20 0.49
▸ MEN1 O00255 3/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ LMNA P02545 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
SCHEMBL3579785 0.78 TDP1 (0.49) TDP1L3MBTL1KMT2AMEN1CYP1A2
SCHEMBL22854880 0.77 RHOC (0.38) TDP1KMT2AMEN1CYP3A4ALDH1A1
SCHEMBL4654059 0.77 TDP1 (0.58) TDP1L3MBTL1KMT2AMEN1CYP1A2
Hydrochloric Acid SCHEMBL16654349 0.77 TDP1 (0.48) TDP1L3MBTL1KMT2AMEN1CYP1A2
SCHEMBL16722630 0.76 PLAU (0.36) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL27471133 0.76 L3MBTL1 (0.50) TDP1L3MBTL1KMT2AMEN1CYP1A2
SCHEMBL3208283 0.75 TDP1 (0.59) TDP1L3MBTL1KMT2AMEN1CYP1A2
SCHEMBL31255154 0.75 TDP1 (0.59) TDP1L3MBTL1KMT2AMEN1CYP1A2
SCHEMBL2278694 0.74 TDP1 (0.58) TDP1L3MBTL1KMT2AMEN1CYP1A2
SCHEMBL9290492 0.74 TDP1 (0.58) TDP1L3MBTL1KMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200230117-A1 NOVEL SUBSTITUTED IMIDAZOPYRIDINE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN-2,3-DIOXYGENASE IOMET PHARMA LTD. (GB) 2020-07-23 — — US disclosed
US-20180186787-A1 PHARMACEUTICAL COMPOUND MERCK SHARP & DOHME CORP. (US) 2018-07-05 — — US disclosed
WO-2017007700-A1 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD. (GB) 2017-01-12 — — WO disclosed
CN-100387127-C Fungicides AVENTIS CROPSCIENCE GMBH (DE) 2008-05-14 — — CN disclosed
CN-1370046-A Fungicidal agents AVENTIS CROPSCIENCE GMBH (DE) 2002-09-18 — — CN 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-20200230117-A1 NOVEL SUBSTITUTED IMIDAZOPYRIDINE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN-2,3-DIOXYGENASE IDO1, IDO2, TDO2 TDP1 92/4885L3MBTL1 4520/4885KMT2A 1209/4885
US-20180186787-A1 PHARMACEUTICAL COMPOUND TDO2, IDO2, IDO1 TDP1 935/4885L3MBTL1 4793/4885KMT2A 1222/4885

“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.

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