SCHEMBL22686334

SCHEMBL22686334

N#Cc1ccc[n+]([O-])c1-c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
CYP1A2 P05177 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MAPK14 Q16539 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL16879887 0.80 POLB (0.46) CYP11B1CYP11B2MEN1KMT2ACYP1A2
SCHEMBL18101838 0.74 MAPK14 (0.37) MEN1KMT2AMAPK14PTGS2
SCHEMBL1259809 0.74 TSHR (0.42) NR3C1MEN1KMT2ANPSR1KDM4E
SCHEMBL30405710 0.73 MAPK14 (0.39) KMT2AMAOBMAPK14
SCHEMBL5390254 0.72 MAPK14 (0.38) MAPK14
SCHEMBL17955111 0.67 ESR2 (0.66) NR3C1MEN1KMT2ACYP1A2NPSR1
SCHEMBL27585332 0.67 TSHR (0.45) KMT2AKDM4EMAPTALDH1A1LMNA
SCHEMBL14460001 0.67 TSHR (0.35) NPSR1MAPTALDH1A1LMNA
SCHEMBL1447748 0.67 AR (0.33) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1006473 0.65 CA1 (0.43) KMT2AKDM4EMAPTESR2ACHE

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-11591342-B2 Heterocyclic compound, application thereof and pharmaceutical composition comprising same Suzhou Sinovent Pharmaceuticals Co., Ltd. (CN) 2023-02-28 US disclosed
EP-3753943-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Suzhou Sinovent Pharmaceuticals Co., Ltd. (CN) 2020-12-23 EP disclosed
US-20200369676-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Suzhou Sinovent Pharmaceuticals Co., Ltd. (CN) 2020-11-26 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-11591342-B2 Heterocyclic compound, application thereof and pharmaceutical composition comprising same ENPP2, ATXN10, PCSK9 NR3C1 4545/4885CYP11B1 2230/4885CYP11B2 2070/4885
US-20200369676-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ENPP2, ATXN10, PCSK9 NR3C1 4545/4885CYP11B1 2230/4885CYP11B2 2070/4885

“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.