SCHEMBL696485

SCHEMBL696485

CCOC(=O)CNc1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.62
POLB P06746 1/20 0.56
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 5/20 0.52
GAA P10253 5/20 0.52
ALOX12 P18054 2/20 0.52
ATM Q13315 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
XBP1 P17861 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.51
TRPV4 Q9HBA0 1/20 0.51
GRK2 P25098 1/20 0.50
MAPK1 P28482 1/20 0.49

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
SCHEMBL14955457 0.88 TRPV4 (0.55) IDH1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL9584096 0.87 SMN1; SMN2 (0.59) IDH1ALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL1441875 0.85 POLB (0.57) IDH1POLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11305074 0.85 TRPV4 (0.53) IDH1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL11355645 0.85 POLB (0.55) IDH1POLBALDH1A1SMN1; SMN2MAPT
SCHEMBL14955380 0.83 SMN1; SMN2 (0.52) IDH1ALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL5348265 0.82 POLB (0.69) IDH1POLBSMN1; SMN2L3MBTL1MAPT
SCHEMBL8098437 0.82 SMN1; SMN2 (0.49) IDH1POLBALDH1A1HPGDSMN1; SMN2
SCHEMBL333191 0.82 SMN1; SMN2 (0.65) IDH1ALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL10382109 0.81 MAPT (0.54) POLBALDH1A1SMN1; SMN2L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118159540-A Novel capsid assembly inhibitor 南韩商AM科学股份有限公司 2024-06-07 CN disclosed
EP-3560928-B1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY SHENZHEN CHIPSCREEN BIOSCIENCES CO LTD (CN) 2021-10-20 EP disclosed
US-10604529-B2 Fused imidazole compound having indoleamine 2,3-dioxygenase inhibitory activity SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD. (CN) 2020-03-31 US disclosed
US-20190352307-A1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD. (CN) 2019-11-21 US disclosed
EP-3560928-A1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2019-10-30 EP disclosed
WO-2018113624-A1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY 深圳微芯生物科技有限责任公司 2018-06-28 WO disclosed
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 US disclosed
US-5191089-A Herbicides for weeds that don't harm soybeans, corn, cotton or barley BAYER AKTIENGESELLSCHAFT (DE) 1993-03-02 US disclosed
US-4345935-A PREEMERGENT AND POSTEMERGENT APPLICATION ELI LILLY AND COMPANY (US) 1982-08-24 US 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-20190352307-A1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY IDO1, IDO2, INMT IDH1 155/4885POLB 3522/4885ALDH1A1 735/4885
US-10604529-B2 Fused imidazole compound having indoleamine 2,3-dioxygenase inhibitory activity IDO1, IDO2, INMT IDH1 54/4885POLB 3731/4885ALDH1A1 376/4885
US-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 IDH1 951/4885POLB 3726/4885ALDH1A1 727/4885

“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.