SCHEMBL16675485

SCHEMBL16675485

C=C(C)Nc1nnc(-c2ccccc2F)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DCUN1D1 Q96GG9 2/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
SLC9A1 P19634 2/20 0.35
PARP1 P09874 1/20 0.34
IDO1 P14902 1/20 0.34
GSTO1 P78417 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 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
SCHEMBL16675463 0.85 ADORA3 (0.47) NPC1RAB9AALDH1A1PKML3MBTL1
SCHEMBL20162916 0.68 ALDH1A1 (0.45) NPC1RAB9AALDH1A1PKML3MBTL1
SCHEMBL30037077 0.68 ALDH1A1 (0.45) NPC1RAB9AALDH1A1PKML3MBTL1
SCHEMBL31429224 0.67 ALDH1A1 (0.47) NPC1RAB9AALDH1A1PKML3MBTL1
SCHEMBL645245 0.66 FGFR1 (0.60) NPC1RAB9AALDH1A1L3MBTL1DCUN1D1
SCHEMBL12172333 0.65 AMY1A (0.45) NPC1RAB9AALDH1A1ADORA3RXFP1
SCHEMBL15329999 0.65 ALDH1A1 (0.45) NPC1RAB9AALDH1A1PKML3MBTL1
SCHEMBL30037237 0.65 ALDH1A1 (0.45) NPC1RAB9AALDH1A1PKML3MBTL1
SCHEMBL20162782 0.65 ALDH1A1 (0.45) NPC1RAB9AALDH1A1PKML3MBTL1
Hydrochloric Acid SCHEMBL20162658 0.64 ALDH1A1 (0.44) NPC1RAB9AALDH1A1PKML3MBTL1

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 2 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-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 NPC1 4575/4885RAB9A 176/4885ALDH1A1 2652/4885
US-20150119250-A1 METHODS FOR MODULATING PLANT RESPONSE TO ENVIRONMENTALLY-INDUCED STRESS RACK1, ROS1, HSF1 NPC1 4575/4885RAB9A 176/4885ALDH1A1 2652/4885

“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.