SCHEMBL16019533

SCHEMBL16019533

Cc1nn(-c2ccccn2)c(C)c1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ MAPT P10636 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ CCNA2 P20248 7/20 0.40
▸ CDK2 P24941 7/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CCNO P22674 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ GAA P10253 2/20 0.38

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
SCHEMBL18949733 0.80 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10ALOX15MAPT
SCHEMBL7506607 0.77 SMN1; SMN2 (0.59) ALDH1A1HPGDHSD17B10ALOX15MAPT
SCHEMBL25762425 0.76 LMNA (0.40) ALDH1A1MAPTSMN1; SMN2TDP1KDM4E
SCHEMBL4547929 0.76 SMN1; SMN2 (0.58) ALDH1A1ALOX15MAPTSMN1; SMN2TDP1
SCHEMBL19422723 0.74 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10ALOX15MAPT
SCHEMBL3683672 0.74 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10ALOX15MAPT
SCHEMBL123248 0.73 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10ALOX15MAPT
SCHEMBL122881 0.73 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10ALOX15MAPT
SCHEMBL3462043 0.72 KDM4E (0.63) ALDH1A1HPGDHSD17B10ALOX15MAPT
SCHEMBL3460182 0.72 MAPT (0.49) ALDH1A1HPGDHSD17B10ALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 — — US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 — — US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 — — US disclosed
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-11 — — 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-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 ALDH1A1 4162/4885HPGD 2888/4885HSD17B10 2887/4885
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 ALDH1A1 4162/4885HPGD 2888/4885HSD17B10 2887/4885

“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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