SCHEMBL10094192

SCHEMBL10094192

CC(C)c1cccnc1Nc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.54
▸ GRM4 Q14833 1/20 0.49
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KDR P35968 1/20 0.45
▸ CYP11B1 P15538 2/20 0.44
▸ CYP11B2 P19099 2/20 0.44
▸ MAPT P10636 2/20 0.43
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42

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
SCHEMBL10094191 0.85 DHODH (0.51) DHODHGRM4NPC1RAB9ASMN1; SMN2
SCHEMBL10094254 0.84 RAB9A (0.54) DHODHNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10094180 0.83 NPC1 (0.47) DHODHNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10094188 0.80 PIK3CA (0.53) DHODHGRM4NPC1RAB9ASMN1; SMN2
SCHEMBL10094204 0.80 HPGD (0.58) DHODHNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10094278 0.80 DHODH (0.60) DHODHNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10094260 0.78 ADRA2A (0.45) GRM4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14818781 0.78 RAB9A (0.63) DHODHGRM4NPC1RAB9ASMN1; SMN2
SCHEMBL10094233 0.78 PIK3CA (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL10094166 0.77 CCNA2 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 — — US disclosed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 — — US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 — — US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 — — 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 (1 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 DHODH 1364/4885GRM4 2449/4885NPC1 660/4885

“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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