SCHEMBL12764207

SCHEMBL12764207

c1ccc(COCCn2nnc3ccccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.65
▸ NPC1 O15118 5/20 0.65
▸ MAPT P10636 1/20 0.65
▸ SLC9A1 P19634 8/20 0.59
▸ GRM2 Q14416 2/20 0.59
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ EGLN3 Q9H6Z9 1/20 0.54
▸ GLA P06280 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ POLB P06746 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
SCHEMBL3428426 0.79 NPC1 (1.00) RAB9ANPC1MAPTSLC9A1GRM2
SCHEMBL13068570 0.78 RAB9A (0.72) RAB9ANPC1MAPTSLC9A1GRM2
SCHEMBL14722565 0.78 RAB9A (0.68) RAB9ANPC1MAPTSLC9A1MEN1
SCHEMBL5696411 0.75 SLC9A1 (0.44) RAB9ANPC1MAPTSLC9A1GRM2
SCHEMBL2734889 0.75 GRM2 (1.00) RAB9ANPC1MAPTSLC9A1GRM2
SCHEMBL14796568 0.75 SLC9A1 (0.79) RAB9ANPC1MAPTSLC9A1GRM2
SCHEMBL14477218 0.73 TSHR (0.60) RAB9ANPC1MAPTSLC9A1GRM2
SCHEMBL6031035 0.73 SMN1; SMN2 (0.74) RAB9ANPC1MAPTLMNAL3MBTL1
SCHEMBL13686677 0.72 SLC9A1 (0.69) RAB9ANPC1MAPTSLC9A1MEN1
SCHEMBL4222242 0.72 SLC9A1 (0.68) RAB9ANPC1MAPTSLC9A1GRM2

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-20110097269-A1 PHENYLOXYANILINE DERIVATIVES LEHMANN LUTZ 2011-04-28 — — 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-20110097269-A1 PHENYLOXYANILINE DERIVATIVES PNMT, PAH, NAT1 RAB9A 3645/4885NPC1 3813/4885MAPT 1608/4885

“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.

Send feedback