SCHEMBL18851945

SCHEMBL18851945

C[C@@H](CN)NC(=O)c1n[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.61
▸ KDM4E B2RXH2 6/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ FLT3 P36888 4/20 0.55
▸ CDK2 P24941 2/20 0.55
▸ CCNA2 P20248 1/20 0.55
▸ CCNA1 P78396 1/20 0.55
▸ STAT3 P40763 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ IDO1 P14902 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ SMYD3 Q9H7B4 1/20 0.52
▸ MAPK10 P53779 1/20 0.50

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
SCHEMBL8714399 0.88 HTT (0.74) YTHDC1KDM4ESMN1; SMN2L3MBTL1MEN1
SCHEMBL2704442 0.84 SMN1; SMN2 (0.71) YTHDC1KDM4ESMN1; SMN2FLT3CDK2
Oxalic Acid SCHEMBL7429480 0.81 SMN1; SMN2 (0.66) YTHDC1KDM4ESMN1; SMN2FLT3CDK2
SCHEMBL19884728 0.80 YTHDC1 (0.59) YTHDC1KDM4ESMN1; SMN2FLT3CDK2
SCHEMBL38655498 0.79 YTHDC1 (0.71) YTHDC1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL2021679 0.79 YTHDC1 (0.71) YTHDC1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL18851649 0.78 YTHDC1 (0.51) YTHDC1KDM4ESMN1; SMN2L3MBTL1MEN1
SCHEMBL18851928 0.78 YTHDC1 (0.51) YTHDC1KDM4ESMN1; SMN2L3MBTL1MEN1
SCHEMBL18851943 0.78 YTHDC1 (0.51) YTHDC1KDM4ESMN1; SMN2L3MBTL1MEN1
SCHEMBL18851791 0.78 YTHDC1 (0.51) YTHDC1KDM4ESMN1; SMN2L3MBTL1MEN1

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-20170129892-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-05-11 — — 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-20170129892-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA6, CHRNA5 YTHDC1 4807/4885KDM4E 4148/4885SMN1; SMN2 527/4885

“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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