SCHEMBL17321027

SCHEMBL17321027

Cc1cc2occ(CCl)c2cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.45
▸ MTNR1A P48039 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 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
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KCNA2 P16389 1/20 0.33
▸ KCNA1 Q09470 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PON1 P27169 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL17321024 0.93 ALOX15 (0.45) ALOX15MTNR1AKMT2AALDH1A1MEN1
SCHEMBL5986942 0.77 ALDH1A1 (0.47) ALOX15KMT2AALDH1A1MEN1KDM4E
SCHEMBL17321028 0.74 ALOX15 (0.41) ALOX15MTNR1AKMT2AALDH1A1MEN1
SCHEMBL19627160 0.73 ALOX15 (0.46) ALOX15MTNR1AKMT2AALDH1A1MEN1
SCHEMBL19627159 0.73 ALOX15 (0.43) ALOX15MTNR1AKMT2AALDH1A1MEN1
SCHEMBL15898929 0.73 TP53 (0.33) ALOX15MAPT
SCHEMBL15898872 0.72 AHR (0.43) ALOX15ALDH1A1SMN1; SMN2MAPTPTPN1
SCHEMBL6608694 0.71 PTPN1 (0.46) KMT2AKDM4EPTPN1HTT
SCHEMBL17321031 0.71 ALOX15 (0.34) ALOX15PTPN1
SCHEMBL5987722 0.70 ALDH1A1 (0.47) ALOX15KMT2AALDH1A1MEN1KDM4E

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 1874/4885MTNR1A 1805/4885KMT2A 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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