SCHEMBL19911491

SCHEMBL19911491

Cc1ccc2nnn(CCl)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
RAB9A P51151 6/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMO O15229 1/20 0.41
SLC9A1 P19634 5/20 0.41
GAA P10253 3/20 0.40
NPC1 O15118 3/20 0.40
MGAM O43451 2/20 0.40
AMY1A P0DUB6 2/20 0.40
SI P14410 2/20 0.40
MGAM2 Q2M2H8 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL19911474 0.86 NAMPT (0.49) POLBRAB9AMAPTMAPK1ALDH1A1
SCHEMBL19848207 0.84 SLC9A1 (0.59) POLBRAB9AMAPTMAPK1KDM4E
SCHEMBL17103044 0.83 SLC9A1 (0.62) POLBRAB9AMAPTMAPK1KDM4E
SCHEMBL19911484 0.81 SLC9A1 (0.62) POLBRAB9AALDH1A1CYP1A2CYP2C9
SCHEMBL19911496 0.80 GRM2 (0.66) POLBRAB9AMAPTKDM4EALDH1A1
SCHEMBL19911489 0.79 POLB (0.44) POLBRAB9AMAPTMAPK1KDM4E
SCHEMBL19911631 0.79 GRM2 (0.47) POLBRAB9AKMOSLC9A1NPC1
SCHEMBL19911606 0.79 KMO (0.41) RAB9AMAPTKDM4EKMOSLC9A1
SCHEMBL19911521 0.78 HDAC3 (0.47) POLBRAB9AMAPTMAPK1KDM4E
SCHEMBL19848564 0.78 POLB (0.40) POLBRAB9AMAPTMAPK1KDM4E

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-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 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-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 POLB 118/4885RAB9A 3611/4885MAPT 1283/4885

“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.