SCHEMBL3591114

SCHEMBL3591114

CN1C(=O)CCc2cc([NH])ccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.51
CYP11B1 P15538 8/20 0.51
CYP1A2 P05177 2/20 0.51
CYP17A1 P05093 1/20 0.51
CYP19A1 P11511 1/20 0.51
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
TRIM24 O15164 4/20 0.45
TMEM97 Q5BJF2 1/20 0.41
ATAD2 Q6PL18 1/20 0.41
SYK P43405 1/20 0.40
TYRO3 Q06418 1/20 0.40

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
SCHEMBL3594131 0.86 TRIM24 (0.45) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL8556144 0.82 CYP11B2 (0.51) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL422074 0.80 SRD5A1 (0.58) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL6073575 0.79 CYP11B2 (0.51) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL736131 0.79 ATAD2 (0.64) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL11255201 0.79 SRD5A1 (0.59) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL5543650 0.79 CYP11B2 (0.51) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL265640 0.79 SRD5A1 (0.59) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL8554279 0.79 CYP11B2 (0.51) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL7380548 0.77 TRIM24 (0.53) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 CYP11B2 165/4885CYP11B1 162/4885CYP1A2 145/4885

“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.