SCHEMBL16217130

SCHEMBL16217130

O=C(Nc1ccc(I)cn1)c1cccc(F)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.71
▸ NPC1 O15118 9/20 0.71
▸ SMN1; SMN2 Q16637 6/20 0.71
▸ ALDH1A1 P00352 4/20 0.71
▸ PKM P14618 3/20 0.71
▸ TSHR P16473 1/20 0.71
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ POLB P06746 2/20 0.59
▸ KDM4E B2RXH2 2/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.56
▸ KCNQ3 O43525 2/20 0.56
▸ KCNQ2 O43526 2/20 0.56
▸ KCNQ5 Q9NR82 1/20 0.56
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ TP53 P04637 3/20 0.54
▸ KCNE1 P15382 1/20 0.53
▸ KCNQ1 P51787 1/20 0.53
▸ ALPL P05186 1/20 0.51

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
SCHEMBL5022824 0.83 RAB9A (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL3164310 0.83 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL14758512 0.83 RAB9A (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL30354980 0.83 RAB9A (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL28522547 0.80 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL30354939 0.79 RAB9A (0.65) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL5025455 0.79 RAB9A (0.65) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL30362429 0.78 MEN1 (0.72) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL30799158 0.78 KMT2A (0.70) RAB9ANPC1SMN1; SMN2TSHRMEN1
SCHEMBL15205296 0.78 RAB9A (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1PKM

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 2 patents. 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
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 RAB9A 1779/4885NPC1 57/4885SMN1; SMN2 53/4885

“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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