SCHEMBL26424871

SCHEMBL26424871

CCC(CC)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.58
▸ PKM P14618 2/20 0.56
▸ SRC P12931 1/20 0.56
▸ KMT2A Q03164 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ LMNA P02545 4/20 0.55
▸ MAPT P10636 4/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ NPSR1 Q6W5P4 3/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ PTGER3 P43115 1/20 0.53
▸ GAA P10253 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ DHODH Q02127 1/20 0.50
▸ POLB P06746 1/20 0.50

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
SCHEMBL22065273 0.75 ALDH1A1 (0.54) ALDH1A1PKMKMT2AMEN1LMNA
SCHEMBL17318640 0.75 RXFP1 (0.58) ALDH1A1SRCKMT2ALMNAMAPT
SCHEMBL20631694 0.73 ALDH1A1 (0.59) ALDH1A1PKMKMT2AMEN1LMNA
SCHEMBL17318619 0.72 NPC1 (0.58) ALDH1A1SRCKMT2AMEN1LMNA
SCHEMBL17318647 0.72 DDX3X (0.64) SRCKMT2AMEN1MAPTNPC1
SCHEMBL31061167 0.72 SRC (1.00) ALDH1A1SRCKMT2AMEN1LMNA
SCHEMBL1543267 0.72 ALDH1A1 (0.68) ALDH1A1PKMKMT2AMEN1LMNA
SCHEMBL7489058 0.71 SRC (0.74) ALDH1A1SRCKMT2AMEN1LMNA
SCHEMBL14825055 0.71 RAB9A (0.58) ALDH1A1PKMKMT2AMEN1LMNA
SCHEMBL5835649 0.71 CCNE1 (0.57) ALDH1A1SRCKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128972-A1 Anat Inhibitors and Methods of Use Thereof Atomwise Inc. 2023-04-27 — — 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-20230128972-A1 Anat Inhibitors and Methods of Use Thereof AANAT, CHAT, NAT1 ALDH1A1 616/4885PKM 3401/4885SRC 3051/4885

“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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