SCHEMBL2527787

SCHEMBL2527787

CCOC(=O)c1cc2n(n1)CCN(C(=O)c1sc3ccccc3c1C)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 1/20 0.44
▸ GABRD O14764 1/20 0.44
▸ GABRA1 P14867 1/20 0.44
▸ GABRB1 P18505 1/20 0.44
▸ GABRG2 P18507 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ GABRA2 P47869 1/20 0.44
▸ GABRB2 P47870 1/20 0.44
▸ GABRA4 P48169 1/20 0.44
▸ GABRE P78334 1/20 0.44
▸ GABRA6 Q16445 1/20 0.44
▸ GABRG1 Q8N1C3 1/20 0.44
▸ GABRG3 Q99928 1/20 0.44
▸ GABRQ Q9UN88 1/20 0.44
▸ HDAC6 Q9UBN7 3/20 0.42
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 2/20 0.40

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
SCHEMBL2525319 0.87 GRM5 (0.45) HDAC6LMNAALDH1A1KMT2AGRM5
SCHEMBL2524455 0.85 HDAC6 (0.57) HDAC6LMNAALDH1A1GRM5CES2
SCHEMBL2524047 0.76 HDAC6 (0.70) HDAC6LMNAALDH1A1KMT2AGRM5
SCHEMBL26969122 0.76 HDAC6 (0.43) HDAC6LMNAALDH1A1KMT2AGRM5
SCHEMBL3313601 0.74 L3MBTL1 (0.45) KMT2ASMN1; SMN2RAB9AL3MBTL1
SCHEMBL3308490 0.73 GRM5 (0.43) HDAC6LMNAALDH1A1KMT2AGRM5
SCHEMBL29513035 0.71 ALDH1A1 (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9025206 0.71 ALDH1A1 (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27141147 0.71 NR1H2 (0.45) HDAC6LMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL3309074 0.71 CYP1A2 (0.40) HDAC6ALDH1A1KMT2AKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
WO-2011130163-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 — — WO disclosed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — US disclosed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — US disclosed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — 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-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 GABRP 4166/4885GABRD 4033/4885GABRA1 3234/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 GABRP 4166/4885GABRD 4033/4885GABRA1 3234/4885

“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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