SCHEMBL21140435

SCHEMBL21140435

CC(C)n1ccc2cc(S)ccc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
EED O75530 1/20 0.34
HTR2C P28335 7/20 0.33
HTR2A P28223 6/20 0.33
CYP2A6 P11509 1/20 0.33
HTR6 P50406 1/20 0.33
PRKCI P41743 1/20 0.32
MET P08581 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
MAPK14 Q16539 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
SCHEMBL599047 0.78 HTR2A (0.53) BRD4CREBBPHTR2CHTR2ACYP2A6
SCHEMBL30861517 0.77 HTR2A (0.54) BRD4CREBBPHTR2CHTR2ACYP2A6
SCHEMBL21244767 0.77 KDM4E (0.39) BRD4CREBBPHTR2CHTR2ACYP2A6
SCHEMBL15712255 0.77 HTR2A (0.54) BRD4CREBBPHTR2CHTR2ACYP2A6
SCHEMBL8768621 0.77 BRD4 (0.36) BRD4CREBBPHTR2CHTR2ACYP2A6
SCHEMBL598834 0.77 HTR2A (0.54) BRD4CREBBPHTR2CHTR2ACYP2A6
SCHEMBL21244778 0.77 BRD4 (0.36) BRD4CREBBPEEDHTR2CHTR2A
SCHEMBL19538885 0.76 AKR1C3 (0.40) BRD4CREBBPEEDHTR2CHTR2A
SCHEMBL4399850 0.74 HTR2C (0.43) BRD4CREBBPHTR2CHTR2AHTR6
SCHEMBL597518 0.74 HTR2C (0.58) HTR2CCYP2A6HTR6SLC6A2SLC6A4

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-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF PHARMAKEA, INC. 2019-06-27 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-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF LOXL2, LOXL1, LOXL3 BRD4 2357/4885CREBBP 3030/4885EED 4535/4885

“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.