SCHEMBL16547578

SCHEMBL16547578

Cc1cc2[nH]ccc2cc1-c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 4/20 0.48
▸ METAP1 P53582 3/20 0.48
▸ METAP2 P50579 2/20 0.48
▸ KDM4E B2RXH2 5/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ PRKCI P41743 1/20 0.44
▸ PKM P14618 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ TGFBR1 P36897 1/20 0.39
▸ CTNNB1 P35222 1/20 0.39
▸ WNT3A P56704 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MITF O75030 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CCR1 P32246 2/20 0.38
▸ CCR5 P51681 2/20 0.38
▸ CCR8 P51685 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL16543598 0.81 PRKCI (0.41) CBFBMETAP1METAP2KDM4ENPC1
SCHEMBL4725361 0.79 KDM4E (0.55) CBFBMETAP1METAP2KDM4ENPC1
SCHEMBL17427076 0.78 KDM4E (0.57) CBFBMETAP1METAP2KDM4ENPC1
SCHEMBL30776779 0.76 KDM4E (0.55) CBFBMETAP1METAP2KDM4ENPC1
SCHEMBL13581443 0.76 KDM4E (0.55) CBFBMETAP1METAP2KDM4ENPC1
SCHEMBL15216238 0.76 KDM4E (0.51) CBFBMETAP1METAP2KDM4ENPC1
SCHEMBL14823128 0.76 NPC1 (0.53) METAP2NPC1CTNNB1WNT3APOLB
SCHEMBL23080058 0.75 KDM4E (0.58) CBFBMETAP1METAP2KDM4ENPC1
SCHEMBL7085431 0.74 NPC1 (0.61) KDM4ENPC1PKMRAB9ACTNNB1
SCHEMBL14823134 0.72 CYP11B1 (0.53) NPC1RAB9ASMN1; SMN2TP53TLR8

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-20150065487-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2015-03-05 — — 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-20150065487-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CBFB 196/4885METAP1 1936/4885METAP2 1756/4885

“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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