SCHEMBL2519732

SCHEMBL2519732

CCOC(=O)c1cc2n(n1)CCN(C(=O)Cc1c[nH]c3ccccc13)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.49
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ TACR1 P25103 1/20 0.43
▸ TACR3 P29371 1/20 0.43
▸ P2RY12 Q9H244 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ GLA P06280 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 1/20 0.41

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
SCHEMBL2524772 0.84 HDAC6 (0.49) ALDH1A1SMN1; SMN2LMNAHTTTACR1
SCHEMBL12210621 0.76 HDAC6 (0.47) ALDH1A1SMN1; SMN2HTTMAPTKMT2A
SCHEMBL26969122 0.74 HDAC6 (0.43) ALDH1A1SMN1; SMN2LMNAMAPTCYP1A2
SCHEMBL3313601 0.73 L3MBTL1 (0.45) SMN1; SMN2RAB9ACYP2C19KMT2AMEN1
SCHEMBL2527787 0.72 GABRP (0.44) ALDH1A1SMN1; SMN2LMNAMAPTRAB9A
SCHEMBL3308490 0.72 GRM5 (0.43) ALDH1A1LMNAMAPTCYP1A2KMT2A
SCHEMBL14159468 0.71 ALDH1A1 (0.62) PKMALDH1A1SMN1; SMN2LMNAHTT
Hydrochloric Acid SCHEMBL8145065 0.70 ALDH1A1 (0.61) PKMALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL16100677 0.70 NPC1 (0.35) ALDH1A1SMN1; SMN2RAB9ACYP1A2KMT2A
SCHEMBL27141147 0.70 NR1H2 (0.45) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1

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 11 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
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 PKM 2246/4885ALDH1A1 828/4885SMN1; SMN2 401/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 PKM 2246/4885ALDH1A1 828/4885SMN1; SMN2 401/4885

“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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