SCHEMBL29904807

SCHEMBL29904807

Cc1nc(N2CCCCC2)c(C)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
CHRM3 P20309 4/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.38
HTT P42858 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PDE10A Q9Y233 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL4852520 0.67 ALDH1A1 (0.61) ALDH1A1LMNAL3MBTL1TSHRSMN1; SMN2
SCHEMBL10242357 0.66 ALDH1A1 (0.36) ALDH1A1LMNATSHRSMN1; SMN2CHRM3
SCHEMBL23975594 0.64 ALDH1A1 (0.59) ALDH1A1TSHRSMN1; SMN2HSD17B10MAPK1
SCHEMBL14479660 0.64 ALDH1A1 (0.59) ALDH1A1TSHRSMN1; SMN2HSD17B10MAPK1
SCHEMBL19758232 0.61 CRHBP (0.44) ALDH1A1LMNAL3MBTL1TSHRSMN1; SMN2
SCHEMBL11982534 0.61 DPP4 (0.49) ALDH1A1LMNASMN1; SMN2HSD17B10MEN1
SCHEMBL12240392 0.61 SMN1; SMN2 (0.46) ALDH1A1LMNAL3MBTL1SMN1; SMN2CHRM3
SCHEMBL21875351 0.61 ALDH1A1 (0.45) ALDH1A1LMNAL3MBTL1TSHRSMN1; SMN2
SCHEMBL5375112 0.60 PDE10A (0.42) ALDH1A1LMNAL3MBTL1TSHRSMN1; SMN2
SCHEMBL17979711 0.60 CHRM3 (0.49) ALDH1A1LMNAL3MBTL1TSHRSMN1; SMN2

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-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20220281869-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS FORMA THERAPEUTICS, INC. 2022-09-08 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-20220281869-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS USP1, UBA1, UBXN1 ALDH1A1 633/4885LMNA 2181/4885L3MBTL1 1816/4885
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 ALDH1A1 633/4885LMNA 2181/4885L3MBTL1 1816/4885

“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.