SCHEMBL3772649

SCHEMBL3772649

Cn1ncc(Br)c1NC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL7300318 0.85 MEN1 (0.59) MEN1KMT2ASMN1; SMN2HTTNPC1
SCHEMBL28058459 0.81 MEN1 (0.40) MEN1KMT2ASMN1; SMN2HTTNPC1
SCHEMBL23087216 0.80 MEN1 (0.66) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL20540314 0.79 MEN1 (0.39) MEN1KMT2ASMN1; SMN2HTTNPC1
SCHEMBL15880434 0.78 MEN1 (0.38) MEN1KMT2ASMN1; SMN2HTTNPC1
SCHEMBL20539629 0.78 MEN1 (0.38) MEN1KMT2ASMN1; SMN2HTTNPC1
SCHEMBL12988824 0.76 LPAR1 (0.53) SMN1; SMN2NPC1RAB9A
SCHEMBL20540428 0.75 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2HTTNPC1
SCHEMBL4910016 0.75 KMT2A (0.63) MEN1KMT2ASMN1; SMN2HTTNPC1
SCHEMBL14710744 0.74 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11980609-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-05-14 US disclosed
EP-4337641-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2024-03-20 EP disclosed
EP-3853232-B1 OXABICYCLO ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2023-03-01 EP disclosed
US-20220411405-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2022-12-29 US disclosed
US-20210317131-A1 OXABICYCLO ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2021-10-14 US disclosed
EP-3853232-A1 OXABICYCLO ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2021-07-28 EP disclosed
WO-2020060914-A1 OXABICYCLO ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-26 WO disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP 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 (4 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 MEN1 3363/4885KMT2A 261/4885SMN1; SMN2 2454/4885
US-20210317131-A1 OXABICYCLO ACIDS AS LPA ANTAGONISTS LPAR1, LPAR2, LPAR3 MEN1 3637/4885KMT2A 3689/4885SMN1; SMN2 3487/4885
US-11980609-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 MEN1 4641/4885KMT2A 2043/4885SMN1; SMN2 4824/4885
US-20220411405-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR4 MEN1 4641/4885KMT2A 2043/4885SMN1; SMN2 4824/4885

“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.