SCHEMBL16562029

SCHEMBL16562029

Cc1cc(C)nc(SCC(=O)Nc2nc3ccccc3s2)n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.78
▸ L3MBTL1 Q9Y468 1/20 0.78
▸ MAPT P10636 8/20 0.71
▸ LMNA P02545 5/20 0.71
▸ ALDH1A1 P00352 4/20 0.70
▸ RAB9A P51151 8/20 0.69
▸ SIRT2 Q8IXJ6 2/20 0.69
▸ NPC1 O15118 6/20 0.66
▸ POLB P06746 2/20 0.66
▸ KMT2A Q03164 5/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ MAPK1 P28482 3/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ USP2 O75604 2/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ CYP1A2 P05177 2/20 0.61
▸ CYP2C9 P11712 2/20 0.61
▸ CYP2C19 P33261 2/20 0.61
▸ TSHR P16473 1/20 0.60

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
SCHEMBL7944975 0.81 MEN1 (0.74) HPGDMAPTLMNAALDH1A1RAB9A
SCHEMBL11140770 0.79 ADORA1 (0.65) HPGDMAPTLMNAALDH1A1RAB9A
SCHEMBL11337093 0.79 RAB9A (0.64) MAPTLMNAALDH1A1RAB9ANPC1
SCHEMBL11417152 0.78 RAB9A (0.63) MAPTLMNAALDH1A1RAB9ANPC1
SCHEMBL6206186 0.76 RAB9A (0.72) MAPTLMNAALDH1A1RAB9ANPC1
SCHEMBL3933070 0.75 DYRK1A (0.72) MAPTLMNAALDH1A1RAB9ANPC1
SCHEMBL29213196 0.75 MEN1 (0.62) HPGDMAPTLMNAALDH1A1RAB9A
SCHEMBL19771114 0.74 POLB (0.74) MAPTALDH1A1RAB9ANPC1POLB
SCHEMBL7933388 0.74 HDAC3 (0.71) MAPTLMNAALDH1A1RAB9ANPC1
SCHEMBL4858014 0.74 CSNK1D (0.69) MAPTLMNAALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 — — US disclosed
US-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 — — US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 — — US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 — — US disclosed
WO-2015035051-A1 METHODS AND COMPOSITIONS FOR SELECTIVE AND TARGETED CANCER THERAPY BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-03-12 — — 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 (1 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-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy NCOA4, SREBF1, ACOX1 HPGD 756/4885L3MBTL1 2619/4885MAPT 2945/4885

“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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