SCHEMBL31661007

SCHEMBL31661007

Nc1cccc2c1C1(CC2)CCc2cccc(N)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CD44 P16070 2/20 0.39
CYP3A4 P08684 4/20 0.36
TSHR P16473 4/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM1A O60341 2/20 0.35
MAOB P27338 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL15222152 0.88 CD44 (0.47) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL15268227 0.88 KDM4E (0.36) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL19055863 0.86 KDM1A (0.46) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL15222147 0.80 DRD1 (0.38) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL15222154 0.78 CD44 (0.37) CD44CYP3A4TDP1
SCHEMBL29471735 0.74 BCL2L1 (0.43) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL16671956 0.74 TDP2 (0.36) MEN1KMT2AKDM1AMAOBCYP2C9
SCHEMBL3835567 0.74 BCL2L1 (0.43) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL20445641 0.74 ALDH1A1 (0.39) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL20445650 0.74 ALDH1A1 (0.38) ALDH1A1HPGDMEN1KMT2AKDM4E

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-20250229262-A1 CHIRAL SPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF SPHENOTECH CO., LIMITED (CN) 2025-07-17 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-20250229262-A1 CHIRAL SPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF PKD1, PKD2, SYMPK ALDH1A1 2502/4885HPGD 1037/4885MEN1 1010/4885

“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.