SCHEMBL11922686

SCHEMBL11922686

CCCCN(C)CCc1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
EBP Q15125 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
HRH1 P35367 2/20 0.40

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
SCHEMBL6430952 0.89 SIGMAR1 (0.49) SIGMAR1SMN1; SMN2KDM4ECYP1A2CYP3A4
SCHEMBL10926250 0.84 SIGMAR1 (0.47) SIGMAR1SMN1; SMN2KDM4ECYP1A2CYP3A4
SCHEMBL8828685 0.84 HRH1 (0.56) SIGMAR1SMN1; SMN2KDM4ECYP1A2CYP3A4
SCHEMBL4001727 0.82 KDM4E (0.47) SMN1; SMN2KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL11922685 0.81 SIGMAR1 (0.72) SIGMAR1EBPTHRATHRB
SCHEMBL346623 0.78 SMN1; SMN2 (0.57) SMN1; SMN2KDM4ECYP3A4CYP2D6LMNA
Bromide SCHEMBL547143 0.76 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ECYP3A4CYP2D6LMNA
SCHEMBL369568 0.76 HRH1 (0.59) SMN1; SMN2KDM4ECYP3A4LMNATSHR
Fluoride SCHEMBL29251977 0.76 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ECYP3A4CYP2D6LMNA
SCHEMBL210990 0.76 TAAR1 (0.60) SMN1; SMN2KDM4ECYP1A2CYP3A4CYP2D6

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 4 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
EP-1599167-B1 BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES HAVING AFFINITY FOR THE MELANOCORTIN RECEPTORS AND USE THEREOF AS A MEDICAMENT SOD CONSEILS RECH APPLIC (FR) 2007-10-03 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-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R SIGMAR1 1040/4885SMN1; SMN2 4699/4885KDM4E 813/4885

“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.