SCHEMBL28947571

SCHEMBL28947571

O=C(Nc1ccc(O)cc1)c1ccccn1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.67
RAB9A P51151 7/20 0.67
SMN1; SMN2 Q16637 7/20 0.67
GRM4 Q14833 5/20 0.67
PKM P14618 4/20 0.67
MAPT P10636 2/20 0.67
KDM4E B2RXH2 2/20 0.63
MITF O75030 1/20 0.63
KDR P35968 4/20 0.62
HTT P42858 2/20 0.60
TP53 P04637 1/20 0.60
MAPK1 P28482 1/20 0.60
KLF5 Q13887 1/20 0.60
HDAC6 Q9UBN7 1/20 0.59
KCNK3 O14649 1/20 0.58
KCNK9 Q9NPC2 1/20 0.58
AURKB Q96GD4 1/20 0.57

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
SCHEMBL231897 0.87 KDR (0.78) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL29184186 0.85 KDR (0.76) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL7988912 0.84 NPC1 (0.65) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL18993402 0.84 NPC1 (0.65) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL6037587 0.84 NPC1 (0.65) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL10415452 0.84 GRM4 (0.65) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL6037590 0.84 KDR (0.78) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL30686047 0.84 GRM4 (0.65) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL20990144 0.84 NPC1 (0.67) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL3099628 0.84 NPC1 (0.65) NPC1RAB9ASMN1; SMN2GRM4PKM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263772-A1 COMPOSITIONS AND METHODS FOR TREATING PAIN AND/OR INFLAMMATION NEUMENTUM INC (US) 2023-08-24 US claimed
CN-113993846-A Compositions and methods for treating pain and/or inflammation 诺门图姆股份有限公司 2022-01-28 CN claimed
US-20230263772-A1 COMPOSITIONS AND METHODS FOR TREATING PAIN AND/OR INFLAMMATION NEUMENTUM INC (US) 2023-08-24 US disclosed
CN-114591185-B Method for selectively preparing alkamine from ethylene glycol and nitroarene 大连理工大学 2023-02-14 CN disclosed
CN-114591185-A Method for selectively preparing alkamine from ethylene glycol and nitroarene 大连理工大学 2022-06-07 CN disclosed
CN-113993846-A Compositions and methods for treating pain and/or inflammation 诺门图姆股份有限公司 2022-01-28 CN 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-20230263772-A1 COMPOSITIONS AND METHODS FOR TREATING PAIN AND/OR INFLAMMATION ADORA3, P2RX3, ADORA2A NPC1 4847/4885RAB9A 3135/4885SMN1; SMN2 2563/4885

“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.