SCHEMBL2005752

SCHEMBL2005752

O=C(O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PDE9A O76083 1/20 0.47
▸ ACMSD Q8TDX5 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ HTR5A P47898 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ APP P05067 1/20 0.46
▸ MCL1 Q07820 1/20 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
SCHEMBL10832846 0.86 KDM4E (0.50) KDM4EALDH1A1MEN1KMT2APDE9A
SCHEMBL17559719 0.81 MEN1 (0.65) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL10831591 0.80 ALDH1A1 (0.52) ALDH1A1
SCHEMBL28013761 0.79 ESR1 (0.63) KDM4ETDP1ALDH1A1HSD17B10LMNA
SCHEMBL10832508 0.77 MTNR1A (0.43) ALDH1A1HSD17B10CYP1A2PDE9A
SCHEMBL10832762 0.77 GAA (0.50) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL8661193 0.77 TUBB4A (0.64) KDM4ETDP1ALDH1A1LMNAMEN1
SCHEMBL10832171 0.76 GAA (0.49) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL14519056 0.75 PIK3CA (0.51) MEN1KMT2APDE9AHTR2BHTR5A
SCHEMBL10831766 0.75 KDM4E (0.51) KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 — — US disclosed
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 — — CN disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — 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 (2 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 KDM4E 2243/4885TDP1 2888/4885ALDH1A1 1229/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT KDM4E 2232/4885TDP1 1782/4885ALDH1A1 178/4885

“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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