SCHEMBL7797109

SCHEMBL7797109

CC1(C)CN(C(=O)c2sc3ccccc3c2Cl)Cc2cc(C(=O)NOC3CCCCO3)sc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ HPGD P15428 2/20 0.42
▸ NPC1 O15118 6/20 0.41
▸ RAB9A P51151 6/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.37
▸ PRSS12 P56730 5/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ OGG1 O15527 1/20 0.36
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL1174053 0.82 HDAC1 (0.50) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL12869309 0.78 RAB9A (0.34) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL1174034 0.76 MAPT (0.47) ALDH1A1HPGDSMN1; SMN2RXFP1LMNA
SCHEMBL1174086 0.72 NPC1 (0.41) ALDH1A1NPC1SMN1; SMN2LMNAKMT2A
SCHEMBL1175508 0.70 EPHX2 (0.33) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL2522561 0.69 HDAC6 (0.41) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL7797158 0.65 HRH4 (0.56) RAB9A
SCHEMBL1173834 0.65 ALDH1A1 (0.46) ALDH1A1HPGDNPC1RAB9ARXFP1
SCHEMBL7796577 0.65 HDAC1 (0.49) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL14246804 0.63 ALDH1A1 (0.68) ALDH1A1HPGDNPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 — — 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 (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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 ALDH1A1 1220/4885HPGD 1100/4885NPC1 1431/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 ALDH1A1 1220/4885HPGD 1100/4885NPC1 1431/4885

“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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