SCHEMBL15469666

SCHEMBL15469666

COCc1cc(C(C)(C)NC(=O)C(Oc2ccc3ncc(I)cc3c2)SC)no1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 2/20 0.33
NPC1 O15118 1/20 0.33
TNF P01375 2/20 0.32
NOD1 Q9Y239 2/20 0.32
NOD2 Q9HC29 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
F2 P00734 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
GALR3 O60755 1/20 0.30
ATM Q13315 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
SCHEMBL15469583 0.92 RAB9A (0.32) RAB9AKDM4ESMN1; SMN2MAPK1NPC1
SCHEMBL15469661 0.91 RAB9A (0.34) RAB9AKDM4ESMN1; SMN2MAPK1NPC1
SCHEMBL15469610 0.88 RAB9A (0.33) RAB9AKDM4ESMN1; SMN2MAPK1NPC1
SCHEMBL15469672 0.87 KMT2A (0.34) RAB9ANPC1LMNAALDH1A1F2
SCHEMBL15469671 0.85 ALDH1A1 (0.30) ALDH1A1F2GLAHPGD
SCHEMBL15469664 0.82 RAB9A (0.32) RAB9AKDM4ESMN1; SMN2MAPK1NPC1
SCHEMBL1926439 0.80 HPGDS (0.38) RAB9AKDM4ESMN1; SMN2MAPK1NPC1
SCHEMBL15469642 0.80 KDM4E (0.31) RAB9AKDM4ESMN1; SMN2
SCHEMBL15469674 0.78 ALDH1A1 (0.31) ALDH1A1F2GLAHPGD
SCHEMBL15469622 0.78 KMT2A (0.34) RAB9ANPC1LMNAALDH1A1F2

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.