SCHEMBL4801764

SCHEMBL4801764

O=C(Nc1nc2c(s1)CCCC2C(=O)N1CCCC1CN1CCCC1)c1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.45
ROCK2 O75116 7/20 0.43
ATR Q13535 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNH2 Q12809 1/20 0.40
BCHE P06276 2/20 0.39
PREP P48147 1/20 0.39
GAA P10253 1/20 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
SCHEMBL3260066 0.87 HRH3 (0.44) HRH3MEN1ALDH1A1KMT2AKDM4E
SCHEMBL4804705 0.82 CYP1A2 (0.46) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL4802777 0.81 F2 (0.43) ROCK2NPC1RAB9AMEN1ALDH1A1
SCHEMBL3166113 0.81 LMNA (0.53) HRH3NPC1RAB9AMEN1ALDH1A1
SCHEMBL4804431 0.80 NPC1 (0.46) ROCK2NPC1RAB9AMEN1ALDH1A1
SCHEMBL3157431 0.80 NPC1 (0.48) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL3167129 0.79 ALDH1A1 (0.55) HRH3NPC1RAB9AMEN1ALDH1A1
SCHEMBL4805581 0.78 RORC (0.45) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL3164398 0.78 HRH3 (0.38) HRH3ALDH1A1KCNH2
SCHEMBL3163040 0.74 HRH3 (0.43) HRH3KCNH2

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 HRH3 970/4885ROCK2 1676/4885ATR 4463/4885

“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.