SCHEMBL25758520

SCHEMBL25758520

C=C1Nc2ccc(C)cc2C1(C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AKR1B1 P15121 1/20 0.34
GAA P10253 3/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
ADAMTS5 Q9UNA0 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL25758612 1.00 CYP1A2 (0.37) CYP1A2POLBCYP3A4CYP2C19ALDH1A1
SCHEMBL25758607 0.86 AKR1B1 (0.34) CYP1A2ALDH1A1KDM4EMAPTHPGD
SCHEMBL25758519 0.86 AKR1B1 (0.34) CYP1A2ALDH1A1KDM4EMAPTHPGD
SCHEMBL26177796 0.81 IDO1 (0.37) AKR1B1MEN1KMT2A
SCHEMBL25758604 0.81 IDO1 (0.37) AKR1B1MEN1KMT2A
SCHEMBL25758641 0.81 KMT2A (0.36) CYP1A2CYP2C19MAPTAKR1B1MEN1
SCHEMBL25758557 0.81 KMT2A (0.36) CYP1A2CYP2C19MAPTAKR1B1MEN1
SCHEMBL25761235 0.79 CYP1A2 (0.51) CYP1A2POLBCYP3A4CYP2C19ALDH1A1
SCHEMBL25767516 0.79 CYP1A2 (0.51) CYP1A2POLBCYP3A4CYP2C19ALDH1A1
SCHEMBL25758652 0.77 PDK2 (0.41) POLBALDH1A1MAPTAKR1B1GAA

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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 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 (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-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL CYP1A2 792/4885POLB 2086/4885CYP3A4 614/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV CYP1A2 746/4885POLB 2188/4885CYP3A4 712/4885

“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.