SCHEMBL15469583

SCHEMBL15469583

CCc1cc(C(C)(C)NC(=O)C(Oc2ccc3ncc(I)cc3c2)SC)no1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.30
F2 P00734 1/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 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
SCHEMBL15469666 0.92 RAB9A (0.34) RAB9AKDM4ESMN1; SMN2NPC1MAPK1
SCHEMBL15469664 0.91 RAB9A (0.32) RAB9AKDM4ESMN1; SMN2NPC1MAPK1
SCHEMBL15469672 0.89 KMT2A (0.34) RAB9ANPC1ALDH1A1F2GLA
SCHEMBL15469642 0.88 KDM4E (0.31) RAB9AKDM4ESMN1; SMN2
SCHEMBL15469671 0.86 ALDH1A1 (0.30) ALDH1A1F2GLAHPGD
SCHEMBL15469661 0.82 RAB9A (0.34) RAB9AKDM4ESMN1; SMN2NPC1MAPK1
SCHEMBL1926439 0.81 HPGDS (0.38) RAB9AKDM4ESMN1; SMN2NPC1MAPK1
SCHEMBL15469610 0.80 RAB9A (0.33) RAB9AKDM4ESMN1; SMN2NPC1MAPK1
SCHEMBL15469674 0.79 ALDH1A1 (0.31) ALDH1A1F2GLAHPGD
SCHEMBL15469622 0.79 KMT2A (0.34) RAB9ANPC1ALDH1A1F2GLA

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-20140045890-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
US-20140045890-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 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-20140045890-A1 NOVEL COMPOUNDS CYP1B1, CYP1A1, CYP51A1 RAB9A 1433/4885KDM4E 747/4885SMN1; SMN2 2608/4885

“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.