SCHEMBL19214801

SCHEMBL19214801

CCC(N)Cc1cnccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
SLC6A4 P31645 2/20 0.34
NLRP3 Q96P20 3/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DAO P14920 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
CYP1A2 P05177 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL20278973 0.81 HSP90AA1 (0.35) HSP90AA1NLRP3KDM4EALDH1A1SMN1; SMN2
SCHEMBL6094582 0.81 HSP90AA1 (0.35) HSP90AA1NLRP3KDM4EALDH1A1SMN1; SMN2
SCHEMBL6194021 0.81 HSP90AA1 (0.35) HSP90AA1NLRP3KDM4EALDH1A1SMN1; SMN2
SCHEMBL4328460 0.80 HRH4 (0.41) HSP90AA1SLC6A4NLRP3KMT2AKDM4E
SCHEMBL4324227 0.80 HRH4 (0.41) HSP90AA1SLC6A4NLRP3KMT2AKDM4E
Hydrochloric Acid SCHEMBL6749428 0.79 HSP90AA1 (0.34) HSP90AA1NLRP3KDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6749426 0.79 HSP90AA1 (0.34) HSP90AA1NLRP3KDM4EALDH1A1SMN1; SMN2
SCHEMBL4630607 0.78 KDM4E (0.37) HSP90AA1NLRP3RAB9AKMT2AKDM4E
SCHEMBL10715444 0.77 KDM4E (0.40) HSP90AA1NLRP3RAB9AKMT2AKDM4E
SCHEMBL8351773 0.76 HSP90AA1 (0.38) HSP90AA1NLRP3KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE FUJIFILM CORPORATION (JP) 2017-08-10 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-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE C9, SET, CRY1 HSP90AA1 2980/4885SLC6A4 2309/4885NLRP3 114/4885

“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.