SCHEMBL18850102

SCHEMBL18850102

CCN1CCCSCCC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 1/20 0.40
INMT O95050 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 2/20 0.33
HSD11B1 P28845 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CHRNA7 P36544 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
RAD52 P43351 1/20 0.30
GFER P55789 1/20 0.30
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL17540482 0.95
SCHEMBL24001174 0.84
SCHEMBL327702 0.82
SCHEMBL15483896 0.80 POLB (0.45) KMT2APOLBGAASMN1; SMN2ALDH1A1
SCHEMBL48580 0.78
SCHEMBL31273843 0.78 KMT2A (0.54) CYP2D6KMT2AGAAHSD11B1SMN1; SMN2
SCHEMBL143760 0.78
SCHEMBL13915449 0.78 CYP2D6 (0.48) CYP2D6KMT2AGAAHSD11B1SMN1; SMN2
SCHEMBL1093603 0.78
SCHEMBL1043052 0.78 CYP2D6 (0.48) CYP2D6KMT2AGAAHSD11B1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9895355-B2 Methods of treating androgen receptor-mediated disorders with imidazoline derivatives Shanghai Hengru Pharmaceutical Co., Ltd. (CN) 2018-02-20 US disclosed
US-20170128422-A1 METHODS OF TREATING ANDROGEN RECEPTOR-MEDIATED DISORDERS WITH IMIDAZOLINE DERIVATIVES Shanghai hengrui pharmaceutical co ltd (CN) 2017-05-11 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-20170128422-A1 METHODS OF TREATING ANDROGEN RECEPTOR-MEDIATED DISORDERS WITH IMIDAZOLINE DERIVATIVES NR5A1, ESRRA, ESRRB CYP2D6 928/4885KMT2A 1916/4885INMT 355/4885

“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.