SCHEMBL16838919

SCHEMBL16838919

COc1cnc(Oc2ccc(Br)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ MAPT P10636 2/20 0.41
▸ HAO1 Q9UJM8 1/20 0.41
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ NPBWR1 P48145 1/20 0.38
▸ OXTR P30559 1/20 0.38
▸ AVPR1A P37288 1/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL16838784 0.83 HAO1 (0.47) RAB9ANPSR1RXFP1NPC1HTT
SCHEMBL16838888 0.82 MEN1 (0.55) RAB9ANPSR1RXFP1NPC1HTT
SCHEMBL16838891 0.81 L3MBTL1 (0.53) RAB9ANPSR1RXFP1NPC1HTT
SCHEMBL16838789 0.79 RAB9A (0.47) RAB9ANPSR1RXFP1NPC1HTT
SCHEMBL29693773 0.79 RAB9A (0.47) RAB9ANPSR1RXFP1NPC1HTT
SCHEMBL12825877 0.78 L3MBTL1 (0.44) RAB9ANPSR1RXFP1NPC1MAPT
SCHEMBL25981514 0.76 F2 (0.46) RAB9ANPSR1RXFP1NPC1HTT
SCHEMBL17427864 0.76 KDM4E (0.54) RAB9ANPC1HTTMAPTMEN1
SCHEMBL16761774 0.75 KDM4E (0.44) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL16838909 0.75 HAO1 (0.47) RAB9ANPSR1RXFP1NPC1HTT

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-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 RAB9A 3434/4885NPSR1 1264/4885RXFP1 1163/4885

“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