SCHEMBL5527554

SCHEMBL5527554

CC(C)(C)c1cc(C(=O)N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 12/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ GNE Q9Y223 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PKM P14618 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
SCHEMBL5519910 0.85 RBP4 (0.43) GBA1SMN1; SMN2HSD17B10LMNANPC1
SCHEMBL5524235 0.84 ALDH1A1 (0.45) GBA1SMN1; SMN2HSD17B10LMNAHPGD
SCHEMBL10266309 0.77 GBA1 (0.44) GBA1HSD17B10HPGDALDH1A1TSHR
SCHEMBL17916135 0.75 SMN1; SMN2 (0.43) SMN1; SMN2HSD17B10LMNANPC1RAB9A
SCHEMBL1420176 0.74 RBP4 (0.42) HSD17B10HPGD
SCHEMBL5528147 0.73 PIK3CA (0.47) HSD17B10LMNAALDH1A1
SCHEMBL12548172 0.72 GBA1 (0.46) GBA1SMN1; SMN2HSD17B10LMNAHPGD
SCHEMBL5525363 0.71 HRH4 (0.46) HSD17B10HPGDALDH1A1TSHR
SCHEMBL5527465 0.71 KDM4E (0.58) HSD17B10HPGDALDH1A1TSHRMEN1
SCHEMBL12549092 0.71 HRH4 (0.42) SMN1; SMN2HSD17B10LMNAHPGDALDH1A1

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 GBA1 1662/4885SMN1; SMN2 4646/4885HSD17B10 1793/4885

“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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