SCHEMBL11922776

SCHEMBL11922776

CCCCCNCC1=NCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ LMNA P02545 1/20 0.38
▸ NAMPT P43490 2/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ DNM2 P50570 4/20 0.35
▸ MAOA P21397 1/20 0.35

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
SCHEMBL25919345 0.78 TSHR (0.43) SIGMAR1CYP1A2CYP2D6CYP2C19ADRA2A
SCHEMBL11923501 0.75 TSHR (0.50) HRH3SIGMAR1CYP1A2CYP2D6ADRA2A
Fluorene SCHEMBL28752902 0.67 SIGMAR1 (0.46) SIGMAR1SMN1; SMN2CYP1A2LMNAADRA2A
SCHEMBL22431952 0.67 TSHR (0.48) CYP1A2CYP2C19ADRA2AADRA2BADRA2C
SCHEMBL9285501 0.67 CHRM2 (0.63) CYP2D6TSHR
SCHEMBL538475 0.67 MAOA (0.76) HRH4HRH3SIGMAR1SMN1; SMN2CYP1A2
Xanthene SCHEMBL22204324 0.66 MAOA (0.57) HRH4HRH3SIGMAR1SMN1; SMN2CYP1A2
SCHEMBL2889761 0.65 MAOA (0.80) HRH4HRH3SIGMAR1SMN1; SMN2CYP1A2
SCHEMBL253468 0.65 MAOA (0.80) HRH4HRH3SIGMAR1SMN1; SMN2CYP1A2
SCHEMBL339686 0.65 MAOA (0.80) HRH4HRH3SIGMAR1SMN1; SMN2CYP1A2

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
US-8236965-B2 Benzimidazole derivatives and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-08-07 — — US disclosed
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament SOCIETE DE CONSEILS DE RECHERECHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2009-07-02 — — US disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 — — 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-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R HRH4 102/4885HRH3 147/4885SIGMAR1 1040/4885

“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.

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