SCHEMBL22845268

SCHEMBL22845268

COc1ccc(-n2c(=O)c3ccncc3n3ncc(Cc4ccccc4)c23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
G6PD P11413 1/20 0.44
CYP3A4 P08684 5/20 0.43
CYP2C9 P11712 4/20 0.43
CYP2C19 P33261 4/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 3/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 4/20 0.40
USP2 O75604 3/20 0.40
CYP2D6 P10635 2/20 0.40
PKM P14618 1/20 0.38

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
SCHEMBL22845222 0.90 REN (0.41) ALDH1A1POLBTP53RAB9A
SCHEMBL24174311 0.78 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
Bromide SCHEMBL22717326 0.77 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL22845210 0.74 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL22845203 0.74 KDM5A (0.42) ALDH1A1MAPTMEN1KMT2AHSP90AA1
SCHEMBL24469915 0.72 ROCK2 (0.33) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL22845485 0.71 ALDH1A1 (0.41) ALDH1A1LMNATSHRHTT
SCHEMBL22845404 0.70 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2MAPTMEN1
SCHEMBL24469784 0.69 CDK2 (0.37) ALDH1A1LMNAMAPTTP53
SCHEMBL24469968 0.68 KDM4C (0.44) ALDH1A1KMT2ARAB9A

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-11136321-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
US-20200407361-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-12-31 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-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL ALDH1A1 648/4885G6PD 1509/4885CYP3A4 68/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL ALDH1A1 648/4885G6PD 1509/4885CYP3A4 68/4885

“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.