SCHEMBL16675463

SCHEMBL16675463

CC(=O)Nc1nnc(-c2ccccc2F)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.47
ADORA2A P29274 2/20 0.47
IDO1 P14902 1/20 0.44
LMNA P02545 1/20 0.43
SLC9A1 P19634 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
ALDH1A1 P00352 4/20 0.40
FGFR1 P11362 2/20 0.39
FGFR2 P21802 2/20 0.39
PARP1 P09874 1/20 0.39
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL16675485 0.85 NPC1 (0.39) ADORA3ADORA2AIDO1SLC9A1SMN1; SMN2
SCHEMBL10216953 0.82 TYR (0.39) LMNAALDH1A1FGFR1FGFR2MEN1
SCHEMBL645245 0.80 FGFR1 (0.60) ADORA3ADORA2ALMNASLC9A1SMN1; SMN2
SCHEMBL12172333 0.79 AMY1A (0.45) ADORA3SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL14960337 0.78 FGFR1 (0.55) ADORA3ADORA2ALMNASMN1; SMN2ALDH1A1
SCHEMBL31741174 0.75 KDM4E (0.54) LMNASMN1; SMN2ALDH1A1FGFR1FGFR2
SCHEMBL24867413 0.71 KDM4E (0.50) ADORA3LMNAALDH1A1FGFR1FGFR2
SCHEMBL15452411 0.70 ALDH1A1 (0.54) LMNASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL15275557 0.69 ALDH1A1 (0.53) ADORA3ADORA2ALMNASMN1; SMN2ALDH1A1
SCHEMBL20162916 0.68 ALDH1A1 (0.45) IDO1SLC9A1ALDH1A1PARP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11737462-B2 Methods for modulating plant response to environmentally-induced stress HOWARD UNIVERSITY (US) 2023-08-29 US disclosed
US-11737462-B2 Methods for modulating plant response to environmentally-induced stress HOWARD UNIVERSITY (US) 2023-08-29 US disclosed
US-20150119250-A1 METHODS FOR MODULATING PLANT RESPONSE TO ENVIRONMENTALLY-INDUCED STRESS GEORGETOWN UNIVERSITY 2015-04-30 US disclosed
US-20150119250-A1 METHODS FOR MODULATING PLANT RESPONSE TO ENVIRONMENTALLY-INDUCED STRESS GEORGETOWN UNIVERSITY 2015-04-30 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-11737462-B2 Methods for modulating plant response to environmentally-induced stress RACK1, ROS1, HSF1 ADORA3 3853/4885ADORA2A 2175/4885IDO1 4334/4885
US-20150119250-A1 METHODS FOR MODULATING PLANT RESPONSE TO ENVIRONMENTALLY-INDUCED STRESS RACK1, ROS1, HSF1 ADORA3 3853/4885ADORA2A 2175/4885IDO1 4334/4885

“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.