SCHEMBL5230778

SCHEMBL5230778

CC(C)N(c1nn(-c2ccc(COc3ccccc3)cc2)cc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 2/20 0.41
KDM4E B2RXH2 4/20 0.39
LMNA P02545 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC3 O15379 1/20 0.36
PARP1 P09874 1/20 0.36
KDR P35968 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL5230782 1.00 ALKBH1 (0.41) ALKBH1KDM4ELMNAMEN1KMT2A
SCHEMBL5230600 0.97 KDM4E (0.43) ALKBH1KDM4ELMNAMEN1KMT2A
SCHEMBL5230595 0.97 KDM4E (0.43) ALKBH1KDM4ELMNAMEN1KMT2A
SCHEMBL5236541 0.91 NPC1 (0.40) ALKBH1KDM4ELMNAMEN1KMT2A
SCHEMBL5236551 0.91 NPC1 (0.40) ALKBH1KDM4ELMNAMEN1KMT2A
SCHEMBL5236387 0.89 KDM4E (0.39) KDM4ELMNAMEN1KMT2AALOX15
SCHEMBL5232012 0.88 ATM (0.39) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5228391 0.88 HPGD (0.35) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL5230337 0.88 HPGD (0.35) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL5232008 0.88 ATM (0.39) LMNAMEN1KMT2AALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 EP claimed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 US claimed
EP-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 EP disclosed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 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-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents HAVCR2, RPL35, ZC3HAV1L ALKBH1 1377/4885KDM4E 2215/4885LMNA 3020/4885

“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.