SCHEMBL2172548

SCHEMBL2172548

C/C(=N/Nc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.58
MEN1 O00255 9/20 0.58
KMT2A Q03164 9/20 0.58
GAA P10253 5/20 0.58
GFER P55789 3/20 0.58
RECQL P46063 1/20 0.58
SMN1; SMN2 Q16637 8/20 0.48
ALDH1A1 P00352 7/20 0.48
HTT P42858 6/20 0.48
LMNA P02545 5/20 0.48
ALOX12 P18054 2/20 0.48
MAPK1 P28482 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
KYAT1 Q16773 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
RAB9A P51151 6/20 0.45
TDP1 Q9NUW8 3/20 0.45

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
SCHEMBL2172551 1.00 MAPT (0.58) MAPTMEN1KMT2AGAAGFER
SCHEMBL28003579 0.88 MAPT (0.59) MAPTMEN1KMT2AGAAGFER
SCHEMBL16379201 0.87 MEN1 (0.56) MAPTMEN1KMT2AGAAGFER
SCHEMBL9429111 0.83 TDP1 (0.48) MAPTMEN1KMT2AGAAGFER
SCHEMBL9429115 0.83 TDP1 (0.48) MAPTMEN1KMT2AGAAGFER
SCHEMBL3089956 0.82 GFER (0.60) MAPTMEN1KMT2AGAAGFER
SCHEMBL6674219 0.82 GFER (0.60) MAPTMEN1KMT2AGAAGFER
SCHEMBL11674299 0.81 MAPT (0.44) MAPTMEN1KMT2AGAAGFER
SCHEMBL23540865 0.81 ALDH1A1 (0.50) MAPTMEN1KMT2AGAAGFER
SCHEMBL11673455 0.81 MAPT (0.55) MAPTMEN1KMT2AGAAGFER

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-8415386-B2 Azolopyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
WO-2010047956-A9 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-06 WO disclosed
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
EP-2346873-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2011-07-27 EP disclosed
WO-2010047956-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-29 WO disclosed
US-4640892-A STORAGE STABLE BASE PRECURSOR FUJI PHOTO FILM CO., LTD. (JP) 1987-02-03 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-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MC1R, MCHR1, MCHR2 MAPT 2870/4885MEN1 420/4885KMT2A 2734/4885

“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.