SCHEMBL29431920

SCHEMBL29431920

O=C(Nc1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1OC(F)F)c1cccc([N+](=O)[O-])c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.40
MAPT P10636 6/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
TDP1 Q9NUW8 2/20 0.37
RAB9A P51151 1/20 0.37
KCNMA1 Q12791 2/20 0.36
CYP2C9 P11712 2/20 0.35
DHODH Q02127 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
CCR6 P51684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
HTT P42858 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL16863579 1.00 P2RX1 (0.40) P2RX1MAPTLMNAMEN1KMT2A
SCHEMBL16863609 0.95 P2RX1 (0.38) P2RX1MAPTLMNAMEN1KMT2A
SCHEMBL16870251 0.89 MEN1 (0.40) P2RX1MAPTLMNAMEN1KMT2A
SCHEMBL29695888 0.89 LMNA (0.41) P2RX1MAPTLMNAMEN1KMT2A
SCHEMBL16863578 0.89 LMNA (0.41) P2RX1MAPTLMNAMEN1KMT2A
SCHEMBL1766957 0.89 P2RX1 (0.41) P2RX1MAPTLMNAMEN1KMT2A
SCHEMBL29549629 0.89 P2RX1 (0.41) P2RX1MAPTLMNAMEN1KMT2A
SCHEMBL29695977 0.89 P2RX1 (0.41) P2RX1MAPTLMNAMEN1KMT2A
SCHEMBL1767290 0.88 P2RX1 (0.47) P2RX1MAPTLMNAMEN1KMT2A
SCHEMBL28567825 0.86 P2RX1 (0.38) P2RX1MAPTLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081389-A1 AMIDE COMPOUNDS AND PREPARATION METHOD THEREFOR AND USE THEREOF CAC NANTONG CHEMICAL CO., LTD (CN) 2022-03-17 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 (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-20220081389-A1 AMIDE COMPOUNDS AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, VIP, NOTUM P2RX1 2917/4885MAPT 4214/4885LMNA 2512/4885

“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.