SCHEMBL3556487

SCHEMBL3556487

N#Cc1nn(-c2c(Cl)cc(OC(F)(F)F)cc2Cl)c(NCC2CC2)c1C1(C(=O)O)CC1(Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.33
DRD3 P35462 1/20 0.32
PIM1 P11309 7/20 0.32
KCNH2 Q12809 2/20 0.32
FLT3 P36888 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
NR1I2 O75469 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL3555159 0.93 GABRP (0.33) FFAR4DRD3PIM1KCNH2FLT3
SCHEMBL3558058 0.90 SLC34A1 (0.33) PIM1KCNH2FLT3PIM3PIM2
SCHEMBL1751647 0.85 FFAR4 (0.33) FFAR4DRD3PIM1KCNH2FLT3
SCHEMBL3559661 0.83 FFAR4 (0.32) FFAR4DRD3FFAR1CHRM4
SCHEMBL1752618 0.82 GABRP (0.43) FFAR4GABRPGABRDNR1I2LMNA
SCHEMBL1751409 0.80 SMN1; SMN2 (0.32) GABRPGABRDNR1I2LMNACYP3A4
SCHEMBL3564170 0.78
SCHEMBL1751817 0.77 GABRP (0.41) GABRPGABRDNR1I2LMNACYP3A4
SCHEMBL1751513 0.77 GABRP (0.41) GABRPGABRDNR1I2LMNACYP3A4
SCHEMBL4975515 0.75 GABRP (0.39) GABRPGABRDNR1I2LMNACYP3A4

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
US-7645786-B2 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days PFIZER INC. (US) 2010-01-12 US disclosed
US-20080176865-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2008-07-24 US disclosed
US-20070149550-A1 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days PFIZER INC. (US) 2007-06-28 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 (2 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-20080176865-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 FFAR4 1302/4885DRD3 1149/4885PIM1 290/4885
US-20070149550-A1 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days CYP3A43, CYP3A4, CYP2F1 FFAR4 66/4885DRD3 869/4885PIM1 1139/4885

“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.