SCHEMBL899604

SCHEMBL899604

CCOC(=O)c1c(C)ncn1-c1c(F)cc(F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
XPO1 O14980 2/20 0.38
NOTUM Q6P988 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GABRG2 P18507 4/20 0.36
GABRB3 P28472 4/20 0.36
GABRA5 P31644 4/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
MEN1 O00255 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL898051 0.79 KMT2A (0.41) TSHRPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL4424957 0.74 NOTUM (0.59) NOTUMSMN1; SMN2ALDH1A1GABRA2GABRB2
SCHEMBL14692599 0.74 PDE4B (0.46) TSHRNOTUMPOLBSMN1; SMN2KDM4E
SCHEMBL900038 0.72 ALDH1A1 (0.41) TSHRPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL899733 0.71 GABRA2 (0.47) TSHRSMN1; SMN2GABRG2GABRB3GABRA5
SCHEMBL19971497 0.69 STAT3 (0.46) TSHRPOLBNPC1KDM4EKMT2A
SCHEMBL19689539 0.69 NR1H4 (0.39) POLBSMN1; SMN2KDM4EGABRG2GABRB3
SCHEMBL20027968 0.69 ALDH1A1 (0.57) NPC1RAB9AKDM4EKMT2AALDH1A1
SCHEMBL18313615 0.69 MAPT (0.43) TSHRPOLBSMN1; SMN2NPC1KDM4E
SCHEMBL9412112 0.67 HSD11B1 (0.30)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621907-A1 FUNGICIDAL IMIDAZOLES E.I. Du Pont De Nemours And Company (US) 2013-08-07 EP disclosed
US-20130143929-A1 FUNGICIDAL IMIDAZOLES EI DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US disclosed
WO-2012044650-A1 FUNGICIDAL IMIDAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-05 WO 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-20130143929-A1 FUNGICIDAL IMIDAZOLES CYP1A1, CYP1B1, CYP2E1 TSHR 3426/4885XPO1 537/4885NOTUM 2064/4885

“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.