SCHEMBL4095025

SCHEMBL4095025

N=C(N)c1csc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
CNR2 P34972 1/20 0.53
CYP2A6 P11509 3/20 0.47
HPGD P15428 4/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALOX15 P16050 1/20 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
Hydrochloric Acid SCHEMBL9432110 0.98 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6028741 0.80 CYP2A6 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29800086 0.80 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2184154 0.80 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL7301129 0.78 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1007728 0.77 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4771459 0.77 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1007729 0.77 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1007731 0.77 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3117193 0.76 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023023867-A1 COMPOUNDS FOR REDUCING CHOLESTEROL AND TREATING LIVER AND KIDNEY DISEASE MCMASTER UNIVERSITY (CA) 2023-03-02 WO disclosed
US-20160030321-A1 CALCIUM SEQUESTRATION COMPOSITIONS AND METHODS OF TREATING SKIN PIGMENTATION DISORDERS AND CONDITIONS NEOCUITIS S A (CH) 2016-02-04 US disclosed
US-20160030321-A1 CALCIUM SEQUESTRATION COMPOSITIONS AND METHODS OF TREATING SKIN PIGMENTATION DISORDERS AND CONDITIONS NEOCUITIS S A (CH) 2016-02-04 US disclosed
US-20090221564-A1 Heterocyclic Compounds and Their Use in the Treatment of Cardiovascular Disease TRIGEN LIMITED (GB) 2009-09-03 US disclosed
US-20090221564-A1 Heterocyclic Compounds and Their Use in the Treatment of Cardiovascular Disease TRIGEN LIMITED (GB) 2009-09-03 US disclosed
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP 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 (6 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-20090221564-A1 Heterocyclic Compounds and Their Use in the Treatment of Cardiovascular Disease F12, F5, F3 HDAC3 537/4885HDAC4 1413/4885HDAC1 827/4885
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA HDAC3 1998/4885HDAC4 1146/4885HDAC1 1424/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 HDAC3 3808/4885HDAC4 1883/4885HDAC1 2242/4885
US-20160030321-A1 CALCIUM SEQUESTRATION COMPOSITIONS AND METHODS OF TREATING SKIN PIGMENTATION DISORDERS AND CONDITIONS S100A4, TYR, CACYBP HDAC3 3139/4885HDAC4 1923/4885HDAC1 3278/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 HDAC3 3596/4885HDAC4 1618/4885HDAC1 1895/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT HDAC3 4314/4885HDAC4 3771/4885HDAC1 3208/4885

“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.