SCHEMBL5557945

SCHEMBL5557945

CCc1cc(C(=O)OC)nc(N2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TSHR P16473 3/20 0.46
▸ PIK3CA P42336 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ PIK3CG P48736 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ CYP1A2 P05177 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ KCNQ3 O43525 1/20 0.43

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
SCHEMBL10266109 0.85 KDM4E (0.49) ALDH1A1PIK3CAKDM4ELMNAHSD17B10
SCHEMBL3997688 0.84 ALDH1A1 (0.51) ALDH1A1KMT2ANPSR1MEN1MAPT
SCHEMBL13494000 0.83 RBP4 (0.58) ALDH1A1KMT2ANPSR1MEN1MAPT
SCHEMBL11926409 0.82 ALDH1A1 (0.49) ALDH1A1KMT2ANPSR1MEN1MAPT
SCHEMBL31705334 0.82 ALDH1A1 (0.49) ALDH1A1KMT2ANPSR1MEN1TSHR
SCHEMBL5528861 0.80 ALDH1A1 (0.47) ALDH1A1KMT2ANPSR1MEN1MAPT
SCHEMBL7016486 0.76 MEN1 (0.51) ALDH1A1KMT2ANPSR1MEN1MAPT
SCHEMBL3117274 0.76 SMN1; SMN2 (0.46) ALDH1A1KMT2ANPSR1MEN1TSHR
SCHEMBL23304372 0.76 ALDH1A1 (0.46) ALDH1A1KMT2ANPSR1MEN1TSHR
SCHEMBL30060484 0.76 PIK3CA (0.53) ALDH1A1KMT2ANPSR1MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 — — 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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 ALDH1A1 2042/4885KMT2A 1024/4885NPSR1 4179/4885

“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.

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