SCHEMBL5577569

SCHEMBL5577569

COc1ccc(CN2CCN(c3cccc(CNC(=O)c4cccc(Cl)c4)c3)CC2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
MAPK1 P28482 1/20 0.60
USP2 O75604 2/20 0.57
LMNA P02545 2/20 0.57
THRB P10828 1/20 0.57
CHRM3 P20309 2/20 0.56
DRD4 P21917 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
KCNH2 Q12809 1/20 0.55
MCHR1 Q99705 1/20 0.55
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
DRD2 P14416 3/20 0.54
DRD3 P35462 3/20 0.54
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.50
ROCK2 O75116 1/20 0.49

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
Hydrochloric Acid SCHEMBL5577682 0.91 SMN1; SMN2 (0.59) TSHRMAPK1USP2LMNATHRB
SCHEMBL5577312 0.91 SMN1; SMN2 (0.63) TSHRUSP2LMNASMN1; SMN2TP53
SCHEMBL5577382 0.90 CHRM3 (0.61) TSHRUSP2LMNACHRM3DRD4
SCHEMBL5577748 0.90 CHRM3 (0.57) TSHRMAPK1USP2LMNATHRB
SCHEMBL5577454 0.90 SMN1; SMN2 (0.55) TSHRMAPK1USP2LMNATHRB
SCHEMBL5577869 0.89 SMN1; SMN2 (0.56) TSHRMAPK1USP2LMNATHRB
SCHEMBL5577465 0.89 SMN1; SMN2 (0.54) TSHRMAPK1USP2LMNATHRB
SCHEMBL5577532 0.88 DRD2 (0.55) TSHRUSP2LMNATHRBSMN1; SMN2
SCHEMBL5577822 0.88 DRD2 (0.55) TSHRMAPK1USP2LMNACHRM3
SCHEMBL5577882 0.87 SMN1; SMN2 (0.59) TSHRMAPK1USP2LMNACHRM3

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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 EP 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C TSHR 4205/4885MAPK1 592/4885USP2 4299/4885

“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.