SCHEMBL14404394

SCHEMBL14404394

CNc1ccc(C(=O)C(F)(F)F)cc1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.65
KDM4E B2RXH2 5/20 0.44
GAA P10253 5/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
THRB P10828 3/20 0.44
HPGD P15428 3/20 0.44
GFER P55789 3/20 0.44
HTT P42858 1/20 0.44
PLEC Q15149 1/20 0.44
MLYCD O95822 5/20 0.42
ACHE P22303 2/20 0.42
HSD17B10 Q99714 3/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.41
RCE1 Q9Y256 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC1 Q13547 1/20 0.41
CES1 P23141 1/20 0.40

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
SCHEMBL1270367 0.79 PRKCI (0.73) PRKCIKDM4EGAAMAPTALDH1A1
SCHEMBL2245773 0.79 PRKCI (1.00) PRKCIKDM4EGAAMAPTALDH1A1
SCHEMBL1067119 0.79 PRKCI (0.73) PRKCIKDM4EGAAMAPTALDH1A1
Hydrochloric Acid SCHEMBL18691959 0.77 PRKCI (0.71) PRKCIKDM4EGAAMAPTALDH1A1
SCHEMBL2248152 0.77 PRKCI (0.71) PRKCIKDM4EGAAMAPTALDH1A1
SCHEMBL18833886 0.77 PRKCI (0.71) PRKCIKDM4EGAAMAPTALDH1A1
SCHEMBL18229474 0.76 PRKCI (0.69) PRKCIKDM4EGAAMAPTALDH1A1
SCHEMBL542066 0.76 PRKCI (0.69) PRKCIKDM4EGAAMAPTALDH1A1
SCHEMBL22382347 0.75 HCAR3 (0.68) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL13833034 0.75 PRKCI (0.67) PRKCIKDM4EGAAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409533-A1 HMOX1 INDUCERS Astellas Engineered Small Molecules US, Incorporated 2024-12-12 US disclosed
US-12071433-B2 HMOX1 inducers Astellas Engineered Small Molecules US, Incorporated (US) 2024-08-27 US disclosed
US-20240051952-A1 HMOX1 INDUCERS Astellas Engineered Small Molecules US, Incorporated 2024-02-15 US disclosed
US-20220177460-A1 HMOX1 INDUCERS Astellas Engineered Small Molecules US, Incorporated 2022-06-09 US disclosed
US-20220177460-A1 HMOX1 INDUCERS Astellas Engineered Small Molecules US, Incorporated 2022-06-09 US disclosed
EP-3952990-A1 HMOX1 INDUCERS Mitobridge, Inc. (US) 2022-02-16 EP disclosed
CN-113874074-A HMOX1 inducers 米托布里奇公司 2021-12-31 CN disclosed
WO-2020210339-A1 HMOX1 INDUCERS MITOBRIDGE, INC. (US) 2020-10-15 WO disclosed
US-10766888-B1 HMOX1 inducers MITOBRIDGE INC. (US) 2020-09-08 US disclosed
US-10766888-B1 HMOX1 inducers MITOBRIDGE INC. (US) 2020-09-08 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 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 (5 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-10766888-B1 HMOX1 inducers HMOX1, HMOX2, HMBS PRKCI 3241/4885KDM4E 2510/4885GAA 2202/4885
US-20240409533-A1 HMOX1 INDUCERS HMOX1, HMOX2, HMBS PRKCI 3241/4885KDM4E 2510/4885GAA 2202/4885
US-12071433-B2 HMOX1 inducers HMOX1, HMOX2, HMBS PRKCI 3252/4885KDM4E 2606/4885GAA 2123/4885
US-20240051952-A1 HMOX1 INDUCERS HMOX1, HMOX2, QSOX1 PRKCI 4716/4885KDM4E 4001/4885GAA 1965/4885
US-20220177460-A1 HMOX1 INDUCERS HMOX1, HMOX2, HMBS PRKCI 3252/4885KDM4E 2606/4885GAA 2123/4885

“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.