SCHEMBL18172035

SCHEMBL18172035

Fc1cccc(NN=C(c2ccccc2)c2ccccc2)c1-c1cnco1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
PDK2 Q15119 1/20 0.37
HDAC4 P56524 4/20 0.35
AGTR1 P30556 1/20 0.35
OPRK1 P41145 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 2/20 0.34
IMPDH2 P12268 2/20 0.33
IL2 P60568 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL18172000 0.74 MAP4K4 (0.41) ALDH1A1RAB9ANPC1LMNAKDM4E
SCHEMBL5778956 0.69 NPC1 (0.56) ALDH1A1RAB9ANPC1LMNAKDM4E
SCHEMBL18172192 0.67 MEN1 (0.47) ALDH1A1RAB9ANPC1LMNAKDM4E
SCHEMBL12757681 0.66 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1LMNAKDM4E
SCHEMBL18171997 0.65 ALDH1A1 (0.46) ALDH1A1RAB9ALMNASMN1; SMN2HTT
SCHEMBL3220846 0.63 KMT2A (0.53) ALDH1A1NPC1LMNAKDM4ESMN1; SMN2
SCHEMBL10021267 0.63 ALDH1A1 (0.46) ALDH1A1RAB9ANPC1LMNAKDM4E
SCHEMBL20265372 0.62 ALDH1A1 (0.40) ALDH1A1RAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL38656167 0.62 PDK2 (0.48) LMNAPKMPDK2HDAC4KMT2A
SCHEMBL9955245 0.62 PDK2 (0.48) LMNAPKMPDK2HDAC4KMT2A

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-20180105509-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS ALMIRALL, S.A. (ES) 2018-04-19 US disclosed
EP-3286178-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS Almirall S.A. (ES) 2018-02-28 EP disclosed
WO-2016170009-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS ALMIRALL, S.A. (ES) 2016-10-27 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-20180105509-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS SCN7A, SCN1A, SCN1B ALDH1A1 1764/4885RAB9A 994/4885NPC1 697/4885

“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.