SCHEMBL3603242

SCHEMBL3603242

N=C(N)Nc1nc(-c2ccc(NC(=O)CCN(Cc3ccccc3)C(=O)c3ccccc3)cc2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.50
▸ HDAC6 Q9UBN7 3/20 0.50
▸ MEN1 O00255 7/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ ELOVL1 Q9BW60 1/20 0.47
▸ MAPT P10636 6/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ PKM P14618 1/20 0.46
▸ ROCK1 Q13464 2/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ POLB P06746 1/20 0.45
▸ PRKACA P17612 1/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ HDAC3 O15379 2/20 0.44
▸ HDAC4 P56524 2/20 0.44
▸ HDAC7 Q8WUI4 2/20 0.44

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
SCHEMBL4330706 0.75 SCD (0.70) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL3613607 0.74 LTA4H (0.59) MEN1KMT2AELOVL1MAPTRAB9A
SCHEMBL27768248 0.74 ATP4A (0.56) MEN1KMT2AELOVL1MAPTRAB9A
SCHEMBL7463048 0.72 CYP3A4 (0.57) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL3598628 0.72 MAPT (0.58) MEN1KMT2AELOVL1MAPTRAB9A
SCHEMBL3603436 0.72 MEN1 (0.61) MEN1KMT2AELOVL1MAPTRAB9A
SCHEMBL29140948 0.71 ROCK1 (0.69) HDAC1HDAC6MEN1KMT2AELOVL1
Bromide SCHEMBL7330009 0.71 MEN1 (0.59) MEN1KMT2AELOVL1MAPTRAB9A
SCHEMBL13578656 0.70 MEN1 (0.59) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL11246187 0.70 MAPT (0.55) MEN1KMT2AMAPTRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 — — US claimed
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 — — 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 (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-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 HDAC1 1788/4885HDAC6 733/4885MEN1 3257/4885

“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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