SCHEMBL6414575

SCHEMBL6414575

[c]1ccc(NNc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
TDP1 Q9NUW8 4/20 0.67
CTSD P07339 1/20 0.67
HSD17B10 Q99714 3/20 0.43
TSHR P16473 4/20 0.41
PTGS2 P35354 3/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR2B P41595 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 3/20 0.39
ALOX5 P09917 1/20 0.39
IDO1 P14902 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL69437 0.83 HSD17B10 (0.67) ALDH1A1TDP1CTSDHSD17B10TSHR
SCHEMBL19737269 0.82 ALDH1A1 (1.00) ALDH1A1TDP1CTSDHSD17B10TSHR
Hydrazobenzene SCHEMBL51179 0.82 ALDH1A1 (1.00) ALDH1A1TDP1CTSDHSD17B10TSHR
SCHEMBL9274501 0.81 ALDH1A1 (0.68) ALDH1A1TDP1HSD17B10TSHRPTGS2
Hydrazobenzene SCHEMBL28199819 0.78 ALDH1A1 (0.92) ALDH1A1TDP1CTSDHSD17B10TSHR
SCHEMBL4050842 0.74 ALDH1A1 (0.74) ALDH1A1HSD17B10CYP3A4LMNACYP1A2
SCHEMBL751586 0.74 SMN1; SMN2 (0.74) TSHRLMNAMAPTMEN1KMT2A
Hydrazobenzene SCHEMBL29066354 0.73 ALDH1A1 (0.80) ALDH1A1TDP1CTSDHSD17B10TSHR
SCHEMBL21764766 0.72 ALDH1A1 (0.79) ALDH1A1TDP1CTSDHSD17B10TSHR
SCHEMBL22620524 0.71 ALDH1A1 (0.81) ALDH1A1TDP1CTSDHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075374-A1 Sulfonyl aryl or heteroaryl hydroxamic acid compounds PHARMACIA CORPORATION 2005-04-07 US claimed

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-20050075374-A1 Sulfonyl aryl or heteroaryl hydroxamic acid compounds MMP1, MMP2, MMP3 ALDH1A1 925/4885TDP1 2291/4885CTSD 82/4885

“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.