SCHEMBL6132815

SCHEMBL6132815

COC1(C2CCCCC2)CCN(c2ccc(-c3nnc(-c4ccc(C=O)cc4)s3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
HRH3 Q9Y5N1 6/20 0.37
APP P05067 4/20 0.34
PTPN11 Q06124 1/20 0.33
MAOB P27338 1/20 0.33
USP2 O75604 1/20 0.32
HSD11B1 P28845 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL6132812 0.87 HRH3 (0.38) HRH3APPPTPN11USP2HSD11B1
SCHEMBL13098866 0.86 HRH3 (0.47) HRH3PTPN11
SCHEMBL13098814 0.85 HRH3 (0.39) HRH3APPPTPN11USP2RAB9A
SCHEMBL6132510 0.85 PDE4D (0.44) HRH3USP2
SCHEMBL6134549 0.84 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2HRH3APP
SCHEMBL6132560 0.84 PDE4D (0.48) ALDH1A1KDM4ESMN1; SMN2HRH3USP2
SCHEMBL6374773 0.84 USP2 (0.43) HRH3USP2
SCHEMBL3110248 0.84 HRH3 (0.34) HRH3APPUSP2
SCHEMBL6376063 0.83 PDE4D (0.46) ALDH1A1KDM4ESMN1; SMN2HRH3USP2
SCHEMBL6134823 0.81 HRH3 (0.38) SMN1; SMN2HRH3USP2

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-6884774-B2 Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-26 US claimed
US-20050004014-A1 Fungicides, microbiocides; glucanase inhibitor; prophylaxis, therapy for pneumocystis infections in humans, animals FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 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-20050004014-A1 Fungicides, microbiocides; glucanase inhibitor; prophylaxis, therapy for pneumocystis infections in humans, animals MAN2B1, MAN2A1, MANBA ALDH1A1 1951/4885KDM4E 3543/4885SMN1; SMN2 4495/4885

“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.