SCHEMBL412431

SCHEMBL412431

CC(=O)CCn1cnnn1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TP53 P04637 4/20 0.51
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
THRB P10828 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.44
HMOX1 P09601 1/20 0.41
STAT5B P51692 2/20 0.39
ALPG P10696 1/20 0.37

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
SCHEMBL1178979 0.80 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL48809 0.79
Acetic Acid SCHEMBL10839556 0.78 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL20942702 0.75 TP53 (0.55) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL21111119 0.75 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL6373759 0.74 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL3643462 0.73
SCHEMBL10633950 0.73 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL2360784 0.72 FOLH1 (0.39) ALDH1A1
SCHEMBL10636720 0.72 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ATP53MAPT

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
WO-2021062246-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-04-01 WO disclosed
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 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-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 ALDH1A1 394/4885MEN1 2143/4885KMT2A 3654/4885

“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.