SCHEMBL3218401

SCHEMBL3218401

COc1cc(OC)c2[nH]cc(C3C=NN(C(C)=O)C3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.43
MTNR1B P49286 6/20 0.43
NQO2 P16083 2/20 0.33
HTT P42858 1/20 0.32
MAOB P27338 3/20 0.31
MAOA P21397 1/20 0.31
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MDM4 O15151 1/20 0.30

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
SCHEMBL3214536 0.81 MTNR1A (0.58) MTNR1AMTNR1BNQO2CYP3A4SMN1; SMN2
SCHEMBL3221402 0.77 P2RX7 (0.35) MTNR1AMTNR1BMAOB
SCHEMBL8578397 0.62 MTNR1A (0.63) MTNR1AMTNR1BNQO2
SCHEMBL30353206 0.62 KDM4E (0.64) MTNR1AMTNR1BNQO2HTT
SCHEMBL21712157 0.61 MTNR1A (0.52) MTNR1AMTNR1BNQO2HTTCYP3A4
SCHEMBL3210719 0.61 ALDH1A1 (0.56) MTNR1AMTNR1BNQO2CYP3A4
SCHEMBL1563219 0.60 TUBB1 (0.64) MTNR1AMTNR1B
SCHEMBL7291800 0.59 NQO2 (0.50) MTNR1AMTNR1BNQO2CYP3A4
SCHEMBL3225498 0.59 MAPT (0.44) MTNR1AMTNR1BNQO2HTTMAPK1
SCHEMBL8604971 0.59 MTNR1A (0.46) MTNR1AMTNR1BNQO2USP2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063125-A1 MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS UNIVERSITY OF SUNDERLAND (GB) 2010-03-11 US claimed
US-8258173-B2 Melatonin derivatives and their use as antioxidants UNIVERSITY OF SUNDERLAND (GB) 2012-09-04 US disclosed
US-8258173-B2 Melatonin derivatives and their use as antioxidants UNIVERSITY OF SUNDERLAND (GB) 2012-09-04 US disclosed
US-8258173-B2 Melatonin derivatives and their use as antioxidants UNIVERSITY OF SUNDERLAND (GB) 2012-09-04 US disclosed
US-20100063125-A1 MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS UNIVERSITY OF SUNDERLAND (GB) 2010-03-11 US disclosed
US-20100063125-A1 MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS UNIVERSITY OF SUNDERLAND (GB) 2010-03-11 US disclosed
US-20100063125-A1 MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS UNIVERSITY OF SUNDERLAND (GB) 2010-03-11 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-20100063125-A1 MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS MTNR1A, MTNR1B, TXNRD2 MTNR1A 1/4885MTNR1B 2/4885NQO2 195/4885

“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.