SCHEMBL13106922

SCHEMBL13106922

Cc1nn(C)c2ccc(NCc3ccc(Cl)cc3Cl)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
GALR3 O60755 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
P2RX7 Q99572 3/20 0.40
QPCT Q16769 1/20 0.40
NAMPT P43490 1/20 0.39
GFER P55789 1/20 0.39
ROCK2 O75116 1/20 0.39
CHEK2 O96017 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KA3 P51812 1/20 0.39
PAK1 Q13153 1/20 0.39

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
SCHEMBL13106919 0.81 MAPT (0.41) NPC1RAB9AGALR3CYP1A2CYP3A4
SCHEMBL13106540 0.78 TRPM5 (0.60) NPC1RAB9AMAPTTDP1P2RX7
SCHEMBL13106226 0.77 ADORA2A (0.59) RAB9AMAPTGRM4ADORA2AADORA2B
SCHEMBL13106106 0.76 P2RX7 (0.49) NPC1RAB9AMAPTTDP1LMNA
SCHEMBL13106999 0.76 CYP1A2 (0.40) GALR3CYP1A2CYP3A4CYP2C19HTT
SCHEMBL13122414 0.74 MAPT (0.50) MAPTTDP1P2RX7ROCK2CHEK2
SCHEMBL13106915 0.73 NPC1 (0.46) NPC1RAB9AHTTSMN1; SMN2MAPT
SCHEMBL13106926 0.73 RAB9A (0.56) NPC1RAB9AGALR3CYP1A2CYP2C19
SCHEMBL11510338 0.72 MAPT (0.57) CYP1A2CYP3A4CYP2C19HTTSMN1; SMN2
SCHEMBL13106095 0.72 KDM4E (0.46) NPC1RAB9AHTTSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812045-B2 Antifungal triazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-10-12 US disclosed
US-20080194661-A1 Antifungal Triazole Derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-08-14 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-20080194661-A1 Antifungal Triazole Derivatives ERG28, CYP51A1, CYP3A43 NPC1 47/4885RAB9A 2353/4885GALR3 1677/4885

“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.