SCHEMBL5751986

SCHEMBL5751986

O=C(c1cc2ccccc2n1-c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 2/20 0.59
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
TSHR P16473 1/20 0.53
HTR1A P08908 3/20 0.53
HTR7 P34969 2/20 0.53
HTR2A P28223 1/20 0.53
HTR6 P50406 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA9 Q16790 1/20 0.52
AKR1C3 P42330 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL6411963 0.85 KMT2A (0.61) MEN1KMT2AALDH1A1PTGS1PTGS2
SCHEMBL6416291 0.82 TSHR (0.50) MEN1KMT2AALDH1A1PTGS1PTGS2
SCHEMBL6409634 0.81 ALDH1A1 (0.53) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL8355121 0.79 KDM4E (0.59) ALDH1A1PTGS1PTGS2TSHRHTR1A
SCHEMBL3968107 0.78 ALDH1A1 (0.77) ALDH1A1TSHR
SCHEMBL6263437 0.78 ALDH1A1 (0.64) MEN1KMT2AALDH1A1TSHRHTR1A
SCHEMBL13900076 0.77 F10 (0.65) MEN1KMT2AALDH1A1TSHR
SCHEMBL13900088 0.76 F10 (0.55) MEN1KMT2A
SCHEMBL9646111 0.76 ALDH1A1 (0.73) MEN1KMT2AALDH1A1HTR1AHTR7
SCHEMBL6266820 0.75 ALDH1A1 (0.60) MEN1KMT2AALDH1A1TSHRHTR1A

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-1651602-A2 ARYL HETEROAROMATIC PRODUCTS, COMPOSITIONS COMPRISING THE SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2006-05-03 EP disclosed
WO-2005009947-A2 ARYL HETEROAROMATIC PRODUCTS, COMPOSITIONS COMPRISING THE SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2005-02-03 WO disclosed
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 MEN1 4042/4885KMT2A 2804/4885ALDH1A1 1270/4885

“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.