SCHEMBL16220535

SCHEMBL16220535

COc1cc(OC)cc(C(=O)Nc2ccc(I)cn2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DEGS1 O15121 2/20 0.56
▸ RAB9A P51151 6/20 0.54
▸ NPC1 O15118 5/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CYP1A1 P04798 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP1B1 Q16678 1/20 0.51
▸ TP53 P04637 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HSD17B10 Q99714 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ALPL P05186 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ TSHR P16473 1/20 0.49

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
SCHEMBL16217131 0.92 DEGS1 (0.51) DEGS1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL16217082 0.80 RAB9A (0.62) DEGS1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL2666370 0.76 GCK (0.78) —
SCHEMBL13074865 0.74 F10 (0.81) —
SCHEMBL28515514 0.74 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3423720 0.72 ALPL (0.52) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL23566368 0.72 DEGS1 (0.68) DEGS1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL16217130 0.72 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7068951 0.72 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2650941 0.72 GCK (0.51) DEGS1RAB9ANPC1SMN1; SMN2MEN1

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-20140329863-A1 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-06 — — 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-20140329863-A1 NOVEL ANTIPRION COMPOUNDS PRNP, PSEN1, PSEN2 DEGS1 3161/4885RAB9A 1779/4885NPC1 57/4885

“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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