SCHEMBL6835667

SCHEMBL6835667

O=C(O)c1cc(-c2ccc3c(c2)OCO3)on1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.66
RAB9A P51151 14/20 0.66
TP53 P04637 3/20 0.64
HPGD P15428 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
KMT2A Q03164 3/20 0.64
MAPT P10636 3/20 0.62
MEN1 O00255 2/20 0.62
THRB P10828 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
SCD5 Q86SK9 3/20 0.61
LMNA P02545 2/20 0.61
SCD O00767 2/20 0.61
ALDH1A1 P00352 1/20 0.61
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
HSD17B10 Q99714 1/20 0.61

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
SCHEMBL892892 0.91 TP53 (0.62) NPC1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL17055818 0.83 NPC1 (0.71) NPC1RAB9ATP53SMN1; SMN2KMT2A
SCHEMBL21523865 0.80 NPC1 (0.67) NPC1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL21536438 0.79 SCD5 (0.80) NPC1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL21536514 0.78 NPC1 (0.78) NPC1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL21536318 0.78 NPC1 (0.71) NPC1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL6830367 0.77 NPC1 (0.74) NPC1RAB9ATP53SMN1; SMN2KMT2A
SCHEMBL21523797 0.77 SCD5 (1.00) NPC1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL21523674 0.77 SCD5 (1.00) NPC1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL24572923 0.77 KMO (0.54) NPC1RAB9ATP53HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112566636-A Compound and use thereof 优曼尼蒂治疗公司 2021-03-26 CN disclosed
EP-3784234-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-03-03 EP disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 US disclosed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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 (3 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-10919885-B2 Compounds and uses thereof NLN, ACHE, CLN6 NPC1 72/4885RAB9A 2129/4885TP53 4352/4885
US-20190330198-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 NPC1 72/4885RAB9A 2129/4885TP53 4352/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 NPC1 3778/4885RAB9A 4337/4885TP53 2331/4885

“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.