SCHEMBL17057334

SCHEMBL17057334

C/C=N\c1cc(C)ccc1C=N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.43
▸ LMNA P02545 5/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ HTT P42858 3/20 0.43
▸ CYP3A4 P08684 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NQO2 P16083 1/20 0.31
▸ GAA P10253 2/20 0.31
▸ PKM P14618 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ MPI P34949 1/20 0.31

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
SCHEMBL17917633 0.85 KDM4E (0.43) MAPTLMNAKDM4EHTTCYP3A4
SCHEMBL16502159 0.84 MAPT (0.42) MAPTLMNAKDM4EHTTCYP3A4
SCHEMBL21649863 0.81 MAPT (0.43) MAPTLMNAKDM4EHTTCYP3A4
SCHEMBL25777723 0.79 NFE2L2 (0.32) MAPTKDM4EALDH1A1POLBRAB9A
SCHEMBL20726017 0.75 DHODH (0.49) MAPTLMNAKDM4EHTTCYP3A4
SCHEMBL15181196 0.74 CA12 (0.41) MAPTLMNAKDM4EHTTCYP3A4
SCHEMBL23969176 0.72 MAPT (0.53) MAPTLMNAKDM4EHTTCYP3A4
SCHEMBL20663401 0.72 MAPT (0.53) MAPTLMNAKDM4EHTTCYP3A4
SCHEMBL14303655 0.72 LMNA (0.37) MAPTLMNAKDM4EHTTALDH1A1
SCHEMBL18874808 0.72 MAPT (0.42) MAPTLMNAKDM4EHTTCYP3A4

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-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 — — 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-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B MAPT 2972/4885LMNA 897/4885KDM4E 2335/4885

“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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