SCHEMBL20138438

SCHEMBL20138438

CCN(CC)CC.O=Cc1ccc(-c2ncccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
ALDH1A3 P47895 2/20 0.43
ALDH3A1 P30838 1/20 0.43
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
CLK4 Q9HAZ1 1/20 0.42
ADRB2 P07550 1/20 0.42
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
CYP2A6 P11509 3/20 0.37
CYP2A13 Q16696 1/20 0.37
MAPT P10636 2/20 0.36
BRD4 O60885 1/20 0.36
HPGD P15428 1/20 0.36
AGTR1 P30556 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL1124023 0.87 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2LMNACLK4
SCHEMBL6869992 0.74 ALDH1A1 (0.47) ALDH1A1ALDH1A3ALDH3A1KDM4ESMN1; SMN2
Benzaldehyde SCHEMBL28231985 0.73 ALDH1A1 (0.67) ALDH1A1ALDH1A3ALDH3A1KDM4ELMNA
SCHEMBL61036 0.71 CLK4 (0.47) ALDH1A1ALDH1A3ALDH3A1KDM4ESMN1; SMN2
SCHEMBL6847816 0.70 CYP2A6 (0.42) ALDH1A1KDM4ESMN1; SMN2LMNACYP2A6
SCHEMBL11823541 0.70 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2LMNADRD2
4-Hydroxybenzaldehyde SCHEMBL9594896 0.70 ALDH5A1 (0.70) ALDH1A1ALDH1A3ALDH3A1KDM4ECYP2A6
SCHEMBL6685962 0.69 CLK4 (0.64) ALDH1A1KDM4ESMN1; SMN2LMNACLK4
SCHEMBL5799195 0.69 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2LMNACLK4
SCHEMBL5799192 0.69 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2LMNACLK4

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-10487076-B2 Compositions and methods for treating diseases and conditions University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2019-11-26 US disclosed
US-20180134693-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-17 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 (2 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-10487076-B2 Compositions and methods for treating diseases and conditions C1S, SLC10A1, C1R ALDH1A1 1801/4885ALDH1A3 2698/4885ALDH3A1 867/4885
US-20180134693-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS C1S, SLC10A1, C1R ALDH1A1 1801/4885ALDH1A3 2698/4885ALDH3A1 867/4885

“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.