SCHEMBL13106919

SCHEMBL13106919

Cc1c2cc(NCc3ccc(Cl)cc3Cl)ccc2nn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
LMNA P02545 2/20 0.40
P2RX7 Q99572 3/20 0.40
APP P05067 1/20 0.39
PDE2A O00408 1/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MCHR1 Q99705 1/20 0.39
JAK2 O60674 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
GALR3 O60755 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
CD38 P28907 1/20 0.38

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
SCHEMBL14077552 0.84 RAB9A (0.56) MAPTRAB9ANPC1HTTSMN1; SMN2
SCHEMBL13106922 0.81 NPC1 (0.43) MAPTTDP1RAB9ANPC1LMNA
SCHEMBL13106334 0.77 MCHR1 (0.47) MAPTRAB9ANPC1LMNAHTT
SCHEMBL13106095 0.77 KDM4E (0.46) MAPTTDP1RAB9ANPC1LMNA
SCHEMBL14077562 0.76 SMN1; SMN2 (0.39) TDP1RAB9ALMNAP2RX7HTT
SCHEMBL14077305 0.74 RAB9A (0.44) MAPTTDP1RAB9ANPC1LMNA
SCHEMBL13106912 0.73 MCHR1 (0.47) RAB9ANPC1PDE2ASMN1; SMN2MCHR1
SCHEMBL13106923 0.73 RAB9A (0.60) MAPTRAB9ANPC1LMNAHTT
SCHEMBL13106106 0.73 P2RX7 (0.49) MAPTTDP1RAB9ANPC1LMNA
SCHEMBL13106540 0.72 TRPM5 (0.60) MAPTTDP1RAB9ANPC1P2RX7

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 MAPT 519/4885TDP1 2850/4885RAB9A 2353/4885

“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.