SCHEMBL4804499

SCHEMBL4804499

CC(C(=O)Nc1nc2c(s1)CCCC2C(=O)N(C)C1CCN(Cc2ccccc2OCc2ccccc2)C1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
XIAP P98170 2/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
RORC P51449 2/20 0.33
DHODH Q02127 2/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MITF O75030 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4796832 0.81 RAB9A (0.45) ALDH1A1KDM4EALPLALPIALPG
SCHEMBL4802914 0.79 KMT2A (0.38) ALDH1A1KDM4EALPLALPIALPG
SCHEMBL4804670 0.78 NPC1 (0.46) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4805657 0.78 SMN1; SMN2 (0.43) ALDH1A1KDM4EALPLALPIALPG
SCHEMBL3163123 0.76 NPC1 (0.44) ALDH1A1KDM4EKMT2ALMNAGAA
SCHEMBL4801857 0.76 BACE1 (0.41) ALDH1A1KDM4EXIAPMEN1KMT2A
SCHEMBL4805873 0.75 CHRM4 (0.42) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL4805240 0.74 HDAC1 (0.42) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL3157695 0.73 XIAP (0.49) ALDH1A1XIAPMEN1KMT2APOLB
SCHEMBL4798316 0.72 DRD4 (0.41) XIAP

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-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 US claimed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 US claimed
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 US disclosed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 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-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds TPH2, HTR6, TPH1 CCR5 942/4885ALDH1A1 963/4885KDM4E 1046/4885

“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.