SCHEMBL31329494

SCHEMBL31329494

CCc1cnccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 1/20 0.51
▸ CRBN Q96SW2 4/20 0.51
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ HDAC9 Q9UKV0 1/20 0.49
▸ KIF11 P52732 4/20 0.48
▸ ALDH1A2 O94788 3/20 0.45
▸ CYP11B1 P15538 2/20 0.44
▸ CYP11B2 P19099 2/20 0.44
▸ TBXAS1 P24557 2/20 0.44
▸ PDE3B Q13370 2/20 0.44
▸ PDE3A Q14432 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ ROCK2 O75116 2/20 0.43
▸ CYP19A1 P11511 1/20 0.41

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
SCHEMBL21646064 1.00 MAP4K1 (0.51) MAP4K1CRBNHDAC3HDAC4HDAC1
SCHEMBL31329495 1.00 MAP4K1 (0.51) MAP4K1CRBNHDAC3HDAC4HDAC1
SCHEMBL23674722 0.93 CRBN (0.49) MAP4K1CRBNHDAC3HDAC4HDAC1
SCHEMBL30100726 0.93 CRBN (0.49) MAP4K1CRBNHDAC3HDAC4HDAC1
SCHEMBL26441332 0.92 TRPV1 (0.45) MAP4K1CRBNCYP11B1CYP11B2ROCK2
SCHEMBL30345347 0.90 CRBN (0.48) MAP4K1CRBNHDAC3HDAC4HDAC1
SCHEMBL26441905 0.90 CRBN (0.48) MAP4K1CRBNHDAC3HDAC4HDAC1
SCHEMBL26088205 0.90 CRBN (0.48) MAP4K1CRBNHDAC3HDAC4HDAC1
SCHEMBL30100710 0.90 CRBN (0.48) MAP4K1CRBNHDAC3HDAC4HDAC1
SCHEMBL21687088 0.88 CRBN (0.40) MAP4K1CRBNHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250129046-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2025-04-24 — — US disclosed
CN-112638881-B Tetrahydroquinoline derivatives for the treatment of metastatic and chemotherapy-resistant cancers 普林斯顿大学托管委员会 2025-01-07 — — CN disclosed
US-12162855-B2 Tetrahydroquinolino derivatives for the treatment of metastatic and chemoresistant cancers THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2024-12-10 — — 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-20250129046-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS ALDH3A1, ALDH1A1, ALDH2 MAP4K1 2863/4885CRBN 4366/4885HDAC3 214/4885
US-12162855-B2 Tetrahydroquinolino derivatives for the treatment of metastatic and chemoresistant cancers ALDH3A1, ALDH2, ALDH1A1 MAP4K1 3265/4885CRBN 4089/4885HDAC3 156/4885

“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.

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