SCHEMBL6693771

SCHEMBL6693771

CCc1cc(C(F)(F)C(F)(F)F)ccc1NC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
ESR1 P03372 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
TOP2A P11388 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PTPN5 P54829 1/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL14822787 0.83 ESR1 (0.47) CYP1A2CYP2C9CYP2C19ESR1SMN1; SMN2
SCHEMBL9728267 0.81 HDAC1 (0.53) CYP1A2CYP2C9CYP2C19ESR1SMN1; SMN2
SCHEMBL5353233 0.76 PKM (0.55) SMN1; SMN2NPC1POLBMAPTRAB9A
SCHEMBL11623168 0.75 MAPT (0.40) SMN1; SMN2POLBMAPTPKMMEN1
SCHEMBL7871930 0.75 NPC1 (0.61) SMN1; SMN2NPC1POLBMAPTRAB9A
SCHEMBL17681595 0.75 CYP2C19 (0.65) CYP1A2CYP2C9CYP2C19ESR1MAPT
SCHEMBL3253108 0.74 HPGD (0.42) CYP1A2CYP2C9CYP2C19MAPTPKM
SCHEMBL13905148 0.74 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19ESR1SMN1; SMN2
SCHEMBL16386159 0.74 RAB9A (0.47) ESR1NPC1POLBMAPTRAB9A
SCHEMBL9861532 0.74 ESR1 (0.65) ESR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362369-B1 None US disclosed
EP-0936212-B1 Fluorine-containing aniline compounds NIHON NOHYAKU CO LTD (JP) 2004-04-21 EP disclosed
US-6559341-B2 Phthalic acid diamide derivatives, fluorine-containing aniline compounds as starting material, agricultural and horticultural insecticides, and a method for application of the insecticides NIHON NOHYAKU CO., LTD. (JP) 2003-05-06 US disclosed
US-20030055287-A1 Phthalic acid diamide derivatives, fluorine-containing aniline compounds as starting material, agricultural and horticultural insecticides, and a method for application of the insecticides AIR MOTION TECHNOLOGIES, LLC 2003-03-20 US disclosed
US-6362369-B2 CONTROLLING INSECTS IN CROPS NIHON NOHYAKU CO., LTD. (JP) 2002-03-26 US disclosed
US-20010041814-A1 PHTHALIC ACID DIAMIDE DERIVATIVES FLUORINE-CONTAINING ANILINE COMPOUNDS AS STARTING MATERIAL, AGRICULTURAL AND HORTICULTURAL INSECTICIDES, AND A METHOD FOR APPLICATION OF THE INSECTICIDES NIHON NOHYAKU CO., LTD. (JP) 2001-11-15 US disclosed
EP-0936212-A1 Fluorine-containing aniline compounds NIHON NOHYAKU CO., LTD. (JP) 1999-08-18 EP 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-20010041814-A1 PHTHALIC ACID DIAMIDE DERIVATIVES FLUORINE-CONTAINING ANILINE COMPOUNDS AS STARTING MATERIAL, AGRICULTURAL AND HORTICULTURAL INSECTICIDES, AND A METHOD FOR APPLICATION OF THE INSECTICIDES DDT, AFF1, BCL2L2 CYP1A2 892/4885CYP2C9 2305/4885CYP2C19 3796/4885
US-20030055287-A1 Phthalic acid diamide derivatives, fluorine-containing aniline compounds as starting material, agricultural and horticultural insecticides, and a method for application of the insecticides DDT, BCL2A1, BCL2L2 CYP1A2 826/4885CYP2C9 2212/4885CYP2C19 3856/4885

“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.