SCHEMBL6263773

SCHEMBL6263773

CNc1cccc(N2CCN(C(=O)c3cc(C)nn3-c3ccccc3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.55
MAPK1 P28482 4/20 0.52
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 5/20 0.49
MDM2 Q00987 1/20 0.45
MAPT P10636 4/20 0.45
USP2 O75604 3/20 0.45
KCNJ6 P48051 1/20 0.45
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
POLB P06746 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
HCRTR1 O43613 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL6261979 0.89 TSHR (0.59) TSHRMAPK1LMNAALDH1A1KMT2A
SCHEMBL6262316 0.89 TSHR (0.52) TSHRMAPK1LMNAALDH1A1KMT2A
SCHEMBL6416255 0.87 TSHR (0.65) TSHRMAPK1LMNAALDH1A1KMT2A
SCHEMBL6260104 0.87 ALDH1A1 (0.52) TSHRMAPK1LMNAALDH1A1KMT2A
SCHEMBL6261720 0.87 TSHR (0.50) TSHRMAPK1LMNAALDH1A1KMT2A
SCHEMBL6415443 0.86 TSHR (0.59) TSHRMAPK1LMNAALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6415477 0.86 MAPK1 (0.49) TSHRMAPK1LMNAALDH1A1KMT2A
SCHEMBL6262956 0.85 TSHR (0.58) TSHRMAPK1LMNAALDH1A1KMT2A
SCHEMBL6261742 0.85 TSHR (0.58) TSHRMAPK1LMNAALDH1A1KMT2A
SCHEMBL29495713 0.85 LMNA (0.65) TSHRMAPK1LMNAALDH1A1KMT2A

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
EP-1590329-A1 N-ARYL HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2005-11-02 EP disclosed
US-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-06-16 US disclosed
WO-2004078732-A1 N-ARYL HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-09-16 WO 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-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AHR, NQO1, ARNT TSHR 4236/4885MAPK1 3623/4885LMNA 2233/4885

“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.