SCHEMBL5741323

SCHEMBL5741323

CC(C)(C)Cc1ncccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ ALDH1A1 P00352 6/20 0.50
▸ MAPT P10636 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ AGER Q15109 1/20 0.50
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ NAPRT Q6XQN6 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ DHODH Q02127 3/20 0.46
▸ MYC P01106 1/20 0.45
▸ CYP2C9 P11712 1/20 0.43
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ MEN1 O00255 3/20 0.42

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
Hydrochloric Acid SCHEMBL5741851 0.98 KDM4E (0.50) KDM4ETDP1ALDH1A1MAPTNPSR1
SCHEMBL16320724 0.85 KDM4E (0.47) KDM4ETDP1ALDH1A1MAPTNPSR1
SCHEMBL13310646 0.85 ALDH1A1 (0.51) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL25552258 0.85 CHRM2 (0.40) KDM4ETDP1ALDH1A1MAPTNPSR1
SCHEMBL17784620 0.83 NAPRT (0.53) KDM4ETDP1ALDH1A1MAPTNPSR1
SCHEMBL123202 0.80 KDM4E (0.57) KDM4ETDP1ALDH1A1MAPTNPSR1
SCHEMBL21958053 0.79 KDM4E (0.41) KDM4ETDP1ALDH1A1MAPTNPSR1
SCHEMBL30785036 0.79 KDM4E (0.47) KDM4ETDP1ALDH1A1MAPTNPSR1
Hydrochloric Acid SCHEMBL17746080 0.79 KDM4E (0.55) KDM4ETDP1ALDH1A1MAPTNPSR1
SCHEMBL2128565 0.79 KDM4E (0.44) KDM4ETDP1ALDH1A1MAPTNPSR1

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-8309544-B2 Spiroindalones MERCK SHARP & DOHME CORP. (US) 2012-11-13 — — US disclosed
US-8309544-B2 Spiroindalones MERCK SHARP & DOHME CORP. (US) 2012-11-13 — — US disclosed
US-20100137297-A1 SPIROINDALONES MERCK SHARP & DOHME LLC 2010-06-03 — — US disclosed
US-20100137297-A1 SPIROINDALONES MERCK SHARP & DOHME LLC 2010-06-03 — — US disclosed
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 — — EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 — — WO 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-20100137297-A1 SPIROINDALONES HIF1AN, HIF1A, EGLN2 KDM4E 1426/4885TDP1 4594/4885ALDH1A1 78/4885

“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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