SCHEMBL2522561

SCHEMBL2522561

Cc1c(C(=O)N2CCn3nc(C(=O)NOC4CCCCO4)cc3C2)sc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.41
▸ TGFBR1 P36897 1/20 0.36
▸ CES2 O00748 1/20 0.35
▸ GRM5 P41594 7/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RIPK1 Q13546 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ P2RX3 P56373 1/20 0.31

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
SCHEMBL2524455 0.81 HDAC6 (0.57) HDAC6CES2GRM5ALDH1A1F10
SCHEMBL2521563 0.80 HDAC6 (0.65) HDAC6GRM5ALDH1A1HPGD
SCHEMBL2525319 0.78 GRM5 (0.45) HDAC6CES2GRM5ALDH1A1RIPK1
SCHEMBL2521032 0.76 HDAC6 (0.59) HDAC6GRM5SMN1; SMN2ALDH1A1HPGD
SCHEMBL2527787 0.76 GABRP (0.44) HDAC6CES2GRM5RAB9ASMN1; SMN2
SCHEMBL2523198 0.69 TGFBR1 (0.36) TGFBR1P2RX3
SCHEMBL7797109 0.69 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2523852 0.67 EPHX2 (0.44) NPC1SMN1; SMN2ALDH1A1
SCHEMBL29750678 0.62 NPC1 (0.51) HDAC6TGFBR1NPC1RAB9ASMN1; SMN2
SCHEMBL4082004 0.61 GSTP1 (0.49) TGFBR1NPC1RAB9ASMN1; SMN2ALDH1A1

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 7 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-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 HDAC6 1/4885TGFBR1 622/4885CES2 1874/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC6 1/4885TGFBR1 622/4885CES2 1874/4885

“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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