SCHEMBL18878176

SCHEMBL18878176

CNc1ccc(C)nc1Br

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.37
RAB9A P51151 1/20 0.37
CCR5 P51681 1/20 0.37
S1PR4 O95977 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 3/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
APP P05067 1/20 0.31
CCR8 P51685 1/20 0.31
TERT O14746 1/20 0.30
GLO1 Q04760 1/20 0.30

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
Hydrochloric Acid SCHEMBL28953693 0.98 CCR1 (0.36) CCR1RAB9ACCR5S1PR4ALDH1A1
SCHEMBL22593396 0.80 CCR1 (0.36) CCR1RAB9ACCR5S1PR4ALDH1A1
SCHEMBL18884313 0.80 ADORA2A (0.39) CCR1RAB9ACCR5S1PR4ALDH1A1
SCHEMBL8307764 0.76 CCR1 (0.40) CCR1RAB9ACCR5ALDH1A1CYP1A2
SCHEMBL15595531 0.76 LRRK2 (0.32) ALDH1A1APP
SCHEMBL6776759 0.74 NOS3 (0.39) CCR1RAB9ACCR5ALDH1A1MAPT
SCHEMBL15080503 0.74 IDO1 (0.39) RAB9AS1PR4ALDH1A1MAPT
SCHEMBL25153150 0.73 APP (0.40) CCR1RAB9ACCR5CYP1A2NOS3
SCHEMBL15426482 0.73 RAB9A (0.37) CCR1RAB9ACCR5ALDH1A1MAPT
SCHEMBL16923586 0.73 KDM4E (0.38) CCR1RAB9ACCR5ALDH1A1MAPT

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
EP-3756464-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-12-30 EP disclosed
EP-3151669-B1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-10-28 EP disclosed
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-25 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-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 CCR1 3886/4885RAB9A 4524/4885CCR5 4686/4885

“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.