SCHEMBL17488283

SCHEMBL17488283

Cn1c(NCCOc2ccc(Cl)c(Cl)c2)nc2ccc(N)cc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 5/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
GRM2 Q14416 2/20 0.39
DRD2 P14416 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL17488286 0.91 ALDH1A1 (0.47) ALDH1A1KDM4ELMNASMN1; SMN2GRM2
SCHEMBL18960398 0.86 CYP3A4 (0.41) ALDH1A1LMNASMN1; SMN2GAAPOLB
SCHEMBL17488265 0.82 CYP3A4 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL17488268 0.81 CYP3A4 (0.45) ALDH1A1LMNASMN1; SMN2GRM2POLB
SCHEMBL17488282 0.78 SMN1; SMN2 (0.41) ALDH1A1KDM4ELMNASMN1; SMN2POLB
SCHEMBL17488258 0.74 KDM4E (0.58) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL17488280 0.74 CYP3A4 (0.42) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL17488269 0.72 IDH1 (0.48) ALDH1A1KDM4ELMNASMN1; SMN2POLB
SCHEMBL18960407 0.72 NPC1 (0.59) ALDH1A1LMNASMN1; SMN2DRD2MEN1
SCHEMBL17488238 0.71 NPC1 (0.48) ALDH1A1KDM4ELMNASMN1; SMN2MEN1

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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 ALDH1A1 582/4885KDM4E 2989/4885LMNA 1905/4885

“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.