SCHEMBL13637173

SCHEMBL13637173

CCCn1nnnc1-c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.61
CYP2C19 P33261 2/20 0.61
MEN1 O00255 1/20 0.61
CYP2C9 P11712 1/20 0.61
KMT2A Q03164 1/20 0.61
HSD11B1 P28845 2/20 0.60
ALDH1A1 P00352 5/20 0.59
P2RX7 Q99572 7/20 0.57
L3MBTL1 Q9Y468 1/20 0.51
HTT P42858 2/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL13625681 0.84 HSD11B1 (0.56) CYP1A2CYP2C19MEN1CYP2C9KMT2A
SCHEMBL4408289 0.83 ALDH1A1 (0.71) CYP1A2CYP2C19MEN1CYP2C9KMT2A
SCHEMBL4409130 0.74 ALDH1A1 (0.64) CYP1A2CYP2C19MEN1CYP2C9KMT2A
SCHEMBL4407364 0.73 ALDH1A1 (0.62) CYP1A2CYP2C19MEN1CYP2C9KMT2A
SCHEMBL8629015 0.73 LMNA (0.43) CYP1A2CYP2C19CYP2C9ALDH1A1L3MBTL1
SCHEMBL5815710 0.73 P2RX7 (0.61) HSD11B1ALDH1A1P2RX7L3MBTL1POLB
SCHEMBL12394470 0.72 ALDH1A1 (0.63) MEN1KMT2AALDH1A1HTTPOLB
SCHEMBL4413792 0.72 ALDH1A1 (0.60) CYP1A2CYP2C19MEN1CYP2C9KMT2A
Hydrochloric Acid SCHEMBL6356629 0.72 P2RX7 (0.60) HSD11B1ALDH1A1P2RX7L3MBTL1POLB
SCHEMBL12396047 0.71 NAMPT (0.62) CYP2C19CYP2C9CYP3A4CYP2A6

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-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 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-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 CYP1A2 117/4885CYP2C19 4/4885MEN1 3930/4885

“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.