SCHEMBL21152149

SCHEMBL21152149

CC(C)n1nnnc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
MCOLN2 Q8IZK6 2/20 0.32
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 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
SCHEMBL23137882 0.92 TSHR (0.38) ALDH1A1CYP2C19CYP1A2POLBTSHR
SCHEMBL12255505 0.81 TSHR (0.34) ALDH1A1CYP2C19CYP1A2POLBTSHR
SCHEMBL2997114 0.73 TAAR1 (0.45) ALDH1A1CYP2C19CYP1A2POLBTSHR
SCHEMBL17811462 0.71
SCHEMBL23638745 0.71 MEN1 (0.33) ALDH1A1TSHR
SCHEMBL20099465 0.68 PARP1 (0.34) ALDH1A1MCOLN2
SCHEMBL23638635 0.67 ALDH1A1 (0.42) ALDH1A1CYP2C19CYP1A2POLBTSHR
SCHEMBL21889060 0.65 AOC3 (0.36)
SCHEMBL21149317 0.65 KDM4E (0.33) CYP1A2
SCHEMBL16336124 0.64 OPRL1 (0.32) ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020458-A1 METHOD OF TREATING ORGAN DISEASES OR DISORDERS WITH ASK1 INHIBITORS Seal Rock Therapeutics, Inc. (US) 2024-01-25 WO disclosed
EP-3735404-B1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF SEAL ROCK THERAPEUTICS INC (US) 2023-11-29 EP disclosed
US-20210213006-A1 METHODS OF TREATING NEURODEGENERATIVE DISEASES Seal Rock Therapeutics, Inc. 2021-07-15 US disclosed
US-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. 2021-03-25 US disclosed
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. 2020-05-14 US disclosed
WO-2020046975-A1 METHODS OF TREATING NEURODEGENERATIVE DISEASES Seal Rock Therapeutics, Inc. (US) 2020-03-05 WO disclosed
WO-2019136025-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. (US) 2019-07-11 WO 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 (3 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-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF ATF1, MAP3K1, ROCK1 ALDH1A1 776/4885CYP2C19 3926/4885CYP1A2 2385/4885
US-20210213006-A1 METHODS OF TREATING NEURODEGENERATIVE DISEASES SNCA, MAPT, HTT ALDH1A1 2222/4885CYP2C19 4876/4885CYP1A2 4724/4885
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG ALDH1A1 1455/4885CYP2C19 2692/4885CYP1A2 2535/4885

“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.