SCHEMBL22004375

SCHEMBL22004375

CC(C)N1CC(c2nc3ccccc3s2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
MAPT P10636 4/20 0.46
UBE2M P61081 6/20 0.46
DCUN1D1 Q96GG9 6/20 0.46
LMNA P02545 6/20 0.46
GAA P10253 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 4/20 0.45
ALDH1A1 P00352 2/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
GRM2 Q14416 1/20 0.45
ACLY P53396 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL22004378 0.83 KMT2A (0.58) KMT2AMEN1MAPTUBE2MDCUN1D1
SCHEMBL24188217 0.80 NPC1 (0.44) KMT2AMEN1MAPTLMNAGAA
SCHEMBL24213033 0.77 LMNA (0.44) KMT2AMEN1MAPTUBE2MDCUN1D1
SCHEMBL9533470 0.77 KMT2A (0.77) KMT2AMEN1MAPTUBE2MDCUN1D1
SCHEMBL29081218 0.75 KMT2A (0.56) KMT2AMEN1MAPTUBE2MDCUN1D1
SCHEMBL30470488 0.75 MEN1 (0.52) KMT2AMEN1MAPTUBE2MDCUN1D1
SCHEMBL13202810 0.74 KMT2A (0.63) KMT2AMEN1MAPTUBE2MDCUN1D1
SCHEMBL5637621 0.74 KMT2A (0.73) KMT2AMEN1MAPTUBE2MDCUN1D1
SCHEMBL1744058 0.74 KMT2A (0.73) KMT2AMEN1MAPTUBE2MDCUN1D1
SCHEMBL17058991 0.73 KMT2A (0.58) KMT2AMEN1MAPTUBE2MDCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858925-B2 GAS41 inhibitors and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-01-02 US disclosed
US-11858925-B2 GAS41 inhibitors and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-01-02 US disclosed
US-20220017509-A1 GAS41 INHIBITORS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-20 US disclosed
US-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 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 (3 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG KMT2A 1976/4885MEN1 3767/4885MAPT 4477/4885
US-11858925-B2 GAS41 inhibitors and methods of use thereof GAS6, HIF1AN, TMEM41B KMT2A 3091/4885MEN1 1054/4885MAPT 4787/4885
US-20220017509-A1 GAS41 INHIBITORS AND METHODS OF USE THEREOF GAS6, HIF1AN, TMEM41B KMT2A 3091/4885MEN1 1054/4885MAPT 4787/4885

“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.