SCHEMBL3582802

SCHEMBL3582802

Fc1ccc(-c2c(F)nnc(F)c2-c2c(F)cc(F)cc2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
NOTUM Q6P988 1/20 0.37
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRA2 P47869 1/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
DHODH Q02127 1/20 0.35
KDM4E B2RXH2 2/20 0.33
GRM5 P41594 2/20 0.32
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL3576396 0.87 GABRA1 (0.34) NPC1RAB9AGABRG2GABRB3GABRA5
SCHEMBL3568770 0.84 NPC1 (0.36) NPC1RAB9AMAPK14
SCHEMBL3311229 0.79 RAPGEF4 (0.35) NPC1RAB9ANOTUMGABRG2GABRB3
SCHEMBL3575367 0.78 NPC1 (0.39) NPC1RAB9ANOTUMGABRG2GABRB3
SCHEMBL3313721 0.78 RAB9A (0.37) NPC1RAB9AGABRG2GABRB3GABRA5
SCHEMBL3576935 0.73 PIK3CA (0.32) RAB9ASMN1; SMN2HPGDNPSR1
SCHEMBL3580504 0.73 NPC1 (0.42) NPC1RAB9AGABRG2GABRB3GABRA5
SCHEMBL2354401 0.71 MEN1 (0.35) NPC1RAB9AGABRG2GABRB3GABRA5
SCHEMBL3334563 0.70 IKBKB (0.40) SMN1; SMN2TSHRHSD17B10DHODHALDH1A1
SCHEMBL15391184 0.70 NPC1 (0.41) NPC1RAB9ATP53SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022526-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US claimed
EP-2121628-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2009-11-25 EP claimed
WO-2008089934-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-07-31 WO claimed
US-20100022526-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US disclosed
EP-2121628-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2009-11-25 EP disclosed
WO-2008089934-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-07-31 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-20100022526-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES CYP4Z1, CYP1A2, CYP1A1 NPC1 3839/4885RAB9A 2942/4885NOTUM 2182/4885

“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.