SCHEMBL21391974

SCHEMBL21391974

Nc1ccc(NC(=O)c2ccc(N)cc2C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.52
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.51
CRBN Q96SW2 1/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
GRM4 Q14833 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
AKR1C3 P42330 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL30279461 1.00 PTGS1 (0.52) PTGS1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL20468344 0.93 PTGS1 (0.56) PTGS1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL28908365 0.87 PTGS1 (0.54) PTGS1RAB9AMAPTKDM4ECYP1A2
SCHEMBL23730425 0.86 PTGS1 (0.61) PTGS1CRBNGLAPOLBGAA
SCHEMBL26416602 0.86 CYP1A2 (0.66) PTGS1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL29996855 0.86 CYP1A2 (0.66) PTGS1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL29771708 0.84 PTGS1 (0.59) PTGS1RAB9AMAPTCRBNGLA
SCHEMBL28339137 0.84 PTGS1 (0.59) PTGS1RAB9AMAPTCRBNGLA
SCHEMBL14972697 0.84 CYP1A2 (0.64) PTGS1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL6814891 0.84 KDM4E (0.55) PTGS1RAB9ASMN1; SMN2MAPTKDM4E

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-11319282-B2 Diamine compound and method for producing same LG CHEM, LTD. (KR) 2022-05-03 US disclosed
CN-112225676-A Fluorine-containing aromatic diamine compound and preparation method thereof, fluorine-containing polyimide compound and preparation method thereof 深圳市道尔顿电子材料有限公司 2021-01-15 CN disclosed
US-20190292138-A1 DIAMINE COMPOUND AND METHOD FOR PRODUCING SAME LG CHEM, LTD. (KR) 2019-09-26 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-20190292138-A1 DIAMINE COMPOUND AND METHOD FOR PRODUCING SAME DDC, CAD, AOC1 PTGS1 2760/4885RAB9A 3350/4885SMN1; SMN2 2296/4885
US-11319282-B2 Diamine compound and method for producing same DDC, CAD, AOC1 PTGS1 2760/4885RAB9A 3350/4885SMN1; SMN2 2296/4885

“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.