SCHEMBL3436022

SCHEMBL3436022

NC(=O)CN1CCC=C(c2ccccc2N)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.39
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.34
HDAC4 P56524 1/20 0.34
CSF1R P07333 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
HTR1A P08908 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL2078054 0.88 KDM4E (0.43) KDM4EALDH1A1HDAC4SIGMAR1HTR1A
SCHEMBL3436620 0.85 MAPT (0.39) RAD52KDM4EHTR1AMAPT
SCHEMBL3434230 0.81 CTSD (0.41) ALDH1A1MAPTLMNA
SCHEMBL3435722 0.80 CCNT1 (0.40) RAD52KDM4EALDH1A1HDAC4SIGMAR1
SCHEMBL13999816 0.80 HTR1A (0.34) KDM4EALDH1A1HTR1AL3MBTL1LMNA
SCHEMBL3436391 0.73 KDM4E (0.45) KDM4ESIGMAR1HTR1AMAPTSMN1; SMN2
SCHEMBL3434596 0.70 CCNT1 (0.52) SIGMAR1LMNA
SCHEMBL3434233 0.70 CDK9 (0.52) SIGMAR1LMNA
SCHEMBL3435570 0.69 CCNT1 (0.38) KDM4EHDAC4CSF1RMAPTSMN1; SMN2
SCHEMBL3080130 0.69 CSF1R (0.59) CSF1R

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 RAD52 4165/4885KDM4E 1834/4885ALDH1A1 975/4885

“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.