SCHEMBL13625437

SCHEMBL13625437

CC(C)Cc1ncc(-c2ccccn2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
NPC1 O15118 3/20 0.52
MAPT P10636 3/20 0.52
RAB9A P51151 3/20 0.52
GLA P06280 2/20 0.52
TRPM8 Q7Z2W7 2/20 0.48
MAPK14 Q16539 5/20 0.41
CES1 P23141 1/20 0.41
ALOX5 P09917 1/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41

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
SCHEMBL8239921 0.83 KDM4E (0.55) KDM4ENPC1MAPTRAB9AGLA
SCHEMBL10130562 0.79 KDM4E (0.58) KDM4ENPC1MAPTRAB9AGLA
SCHEMBL13615811 0.78 IDH1 (0.43) KDM4EMAPTTRPM8ALDH1A1LOXL2
SCHEMBL10130634 0.76 KDM4E (0.59) KDM4ENPC1MAPTRAB9AGLA
SCHEMBL19143309 0.76 KDM4E (0.61) KDM4ENPC1MAPTRAB9AGLA
SCHEMBL24958732 0.75 KDM4E (0.57) KDM4ENPC1MAPTRAB9AGLA
SCHEMBL20809152 0.74 KDM4E (0.61) KDM4ENPC1MAPTRAB9AGLA
SCHEMBL13437308 0.73 ALDH1A1 (0.50) KDM4ENPC1MAPTRAB9AGLA
SCHEMBL3229697 0.73 CES1 (0.65) KDM4ENPC1MAPTRAB9AGLA
SCHEMBL10260862 0.71 CYP1A2 (0.50) KDM4ETRPM8POLBLMNACYP1A2

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-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 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-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 KDM4E 523/4885NPC1 77/4885MAPT 4008/4885

“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.