SCHEMBL5530166

SCHEMBL5530166

C[C@@H](NC(N)=S)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
HDAC3 O15379 3/20 0.53
HDAC4 P56524 3/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC6 Q9UBN7 3/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HTT P42858 1/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL4037544 1.00 MAPT (0.55) MAPTHDAC3HDAC4HDAC1HDAC6
SCHEMBL9063455 0.86 MAPT (0.50) MAPTHDAC3HDAC4HDAC1HDAC6
SCHEMBL3426260 0.84 ACACB (0.64) MAPTALDH1A1HTTHPGDLMNA
SCHEMBL11749030 0.84 MAPT (0.49) MAPTHDAC3HDAC4HDAC1HDAC6
SCHEMBL5044206 0.84 MAPT (0.49) MAPTHDAC3HDAC4HDAC1HDAC6
SCHEMBL27773043 0.83 HSD17B10 (0.53) MAPTALDH1A1KDM4EHSD17B10HTT
SCHEMBL27676416 0.82 HTT (0.44) MAPTHDAC3HDAC4HDAC1HDAC6
SCHEMBL27676419 0.82 HTT (0.44) MAPTHDAC3HDAC4HDAC1HDAC6
Zinc Ion SCHEMBL2921239 0.81 MAPT (0.47) MAPTHDAC3HDAC4HDAC1HDAC6
SCHEMBL28527565 0.81 HSD17B10 (0.52) MAPTHDAC6ALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105797771-B (R) Mn-Anderson types heteropolyacid catalyst thiourea modified -1- (1- phenethyls), preparation method and applications 上海应用技术学院 2018-05-15 CN claimed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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 (2 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 MAPT 680/4885HDAC3 1287/4885HDAC4 1085/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MAPT 517/4885HDAC3 2899/4885HDAC4 2734/4885

“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.