SCHEMBL17321024

SCHEMBL17321024

Cc1cc2c(CCl)coc2cc1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KCNA2 P16389 1/20 0.33
▸ KCNA1 Q09470 1/20 0.33
▸ PON1 P27169 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ THRB P10828 1/20 0.30
▸ AIMP2 Q13155 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
SCHEMBL17321027 0.93 ALOX15 (0.45) ALOX15ALDH1A1KMT2AMEN1KDM4E
SCHEMBL19627160 0.80 ALOX15 (0.46) ALOX15ALDH1A1KMT2AMEN1KDM4E
SCHEMBL19627159 0.80 ALOX15 (0.43) ALOX15ALDH1A1KMT2AMEN1KDM4E
SCHEMBL5987722 0.77 ALDH1A1 (0.47) ALOX15ALDH1A1KMT2AMEN1KDM4E
SCHEMBL15898929 0.77 TP53 (0.33) ALOX15MAPT
SCHEMBL17321030 0.74 ALOX15 (0.41) ALOX15ALDH1A1KMT2AMEN1KDM4E
SCHEMBL19627162 0.73 ALOX15 (0.54) ALOX15KMT2AMEN1TSHRPOLB
SCHEMBL15898872 0.72 AHR (0.43) ALOX15ALDH1A1MAPTSMN1; SMN2
SCHEMBL6608694 0.71 PTPN1 (0.46) KMT2AKDM4E
SCHEMBL17321026 0.71 ALOX15 (0.34) ALOX15

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-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 — — 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-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALOX15 1874/4885ALDH1A1 2883/4885KMT2A 3397/4885

“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.

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