SCHEMBL5649072

SCHEMBL5649072

O=C(NN1CCCCC1)c1ccc(-c2nc3c[nH]cnc-3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
CNR2 P34972 3/20 0.42
CNR1 P21554 10/20 0.41
PKM P14618 1/20 0.41
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 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
SCHEMBL5650810 0.80 KMT2A (0.41) CNR1KMT2A
SCHEMBL5653100 0.78 MAPT (0.40) HTTCNR2CNR1PKMKMT2A
SCHEMBL3687298 0.72 CNR1 (0.48) HTTCNR2CNR1
SCHEMBL3681869 0.72 CNR1 (0.48) HTTCNR2CNR1
SCHEMBL55036 0.68 HTT (0.66) HTTPKMMAPK8MAPK10ALDH1A1
SCHEMBL4367890 0.68 HTT (0.60) HTTCNR2CNR1PKMMAPK8
SCHEMBL12629113 0.67 CYP2D6 (0.71) HTTCNR1ALDH1A1KMT2A
SCHEMBL2999120 0.67 HTT (0.69) HTTPKMALDH1A1KMT2A
SCHEMBL5651444 0.67 PRMT5 (0.59) HTT
SCHEMBL5406540 0.67 HTT (0.73) HTTPKMALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed
US-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis 3-V BIOSCIENCES, INC. 2005-02-17 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-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis NR0B2, NR0B1, NCOR1 HTT 4354/4885CNR2 129/4885CNR1 68/4885

“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.