SCHEMBL6416291

SCHEMBL6416291

O=CNc1cccc(N2CCN(C(=O)c3cc4ccccc4n3-c3ccccc3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
ALDH1A1 P00352 5/20 0.50
USP2 O75604 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 3/20 0.46
HTT P42858 3/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
HCRTR1 O43613 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 3/20 0.45
KDM4E B2RXH2 2/20 0.42
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
PARP14 Q460N5 1/20 0.41
PLA2G10 O15496 1/20 0.41

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
SCHEMBL5751986 0.82 MEN1 (0.61) TSHRALDH1A1MEN1KMT2AHTT
SCHEMBL20563461 0.78 HTT (0.52) TSHRALDH1A1USP2MEN1KMT2A
SCHEMBL6415460 0.78 HCRTR1 (0.48) TSHRALDH1A1USP2MEN1KMT2A
SCHEMBL6494948 0.77 FNTA (0.45) TSHRALDH1A1USP2MEN1KMT2A
SCHEMBL6262316 0.76 TSHR (0.52) TSHRALDH1A1USP2MEN1KMT2A
SCHEMBL6409634 0.76 ALDH1A1 (0.53) TSHRALDH1A1USP2MEN1KMT2A
SCHEMBL6419798 0.75 KMT2A (0.41) TSHRALDH1A1USP2MEN1KMT2A
SCHEMBL2656268 0.75 MAPT (0.50) USP2MEN1KMT2APOLBHTT
SCHEMBL6415168 0.74 LMNA (0.46) TSHRALDH1A1MEN1KMT2AHTT
SCHEMBL6503140 0.73 MEN1 (0.45) TSHRALDH1A1USP2MEN1KMT2A

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-20050020593-A1 Aryl-heteroaromatic compounds, compositions comprising them and use AVENTIS PHARMA (FR) 2005-01-27 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-20050020593-A1 Aryl-heteroaromatic compounds, compositions comprising them and use TUBB3, TUBB, TUBB1 TSHR 4556/4885ALDH1A1 1270/4885USP2 2791/4885

“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.