SCHEMBL19214716

SCHEMBL19214716

CCCc1ccnc(CC(C)NCCSc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 0.44
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
SLC2A1 P11166 2/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL19214752 0.74 LNPEP (0.40) SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL21686484 0.70 KDM4E (0.41) CYP1A2CYP3A4CYP2C19
SCHEMBL20661467 0.69 ALDH1A1 (0.42) CYP1A2CYP2D6CYP2C19SLC6A4
SCHEMBL21443572 0.69 SREBF2 (0.41) CYP3A4
SCHEMBL20032169 0.69 LNPEP (0.39) SIGMAR1CYP1A2CYP2C9CYP2C19
SCHEMBL10684967 0.67 ALDH1A1 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20032030 0.66 SLC6A4 (0.49) SIGMAR1CYP3A4SLC6A4
Hydrochloric Acid SCHEMBL10682727 0.66 ALDH1A1 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20661463 0.65 FDPS (0.45) SIGMAR1CYP1A2CYP2D6CYP2C19
SCHEMBL20032163 0.65 KDM4E (0.35) SIGMAR1CYP3A4SLC6A4

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 SIGMAR1 3883/4885CYP1A2 3189/4885CYP3A4 2911/4885

“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.