SCHEMBL25004065

SCHEMBL25004065

O=c1[nH]cc(CNCC2CC2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
KDM4E B2RXH2 1/20 0.41
MPO P05164 1/20 0.41
TPO P07202 1/20 0.41
ESRRA P11474 2/20 0.40
MC1R Q01726 3/20 0.40
NPY5R Q15761 2/20 0.40
MC5R P33032 2/20 0.40
MC3R P41968 1/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
SSTR3 P32745 4/20 0.39
ROCK2 O75116 1/20 0.39

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
Hydrochloric Acid SCHEMBL31308979 0.99 KMT2A (0.48) KMT2AMEN1TP53CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL22094409 0.99 KMT2A (0.48) KMT2AMEN1TP53CYP3A4CYP2D6
SCHEMBL25003438 0.79 HTT (0.58) KMT2AMEN1RECQLKDM4EMPO
SCHEMBL31308849 0.78 HTR2A (0.46) KMT2AMEN1KDM4EMC1RMC5R
SCHEMBL22094838 0.78 HTR2A (0.46) KMT2AMEN1KDM4EMC1RMC5R
Bromide SCHEMBL22093734 0.78 HTT (0.57) KMT2AMEN1RECQLKDM4EMPO
Bromide SCHEMBL31308850 0.78 HTT (0.57) KMT2AMEN1RECQLKDM4EMPO
SCHEMBL22094537 0.76 MC1R (0.49) KMT2AMEN1KDM4EMC1RMC5R
SCHEMBL31309123 0.76 MC1R (0.49) KMT2AMEN1KDM4EMC1RMC5R
SCHEMBL22094224 0.74 PARP1 (0.46) KMT2AMEN1CYP3A4KDM4EMC1R

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-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-02-09 US disclosed
CN-113923988-A Substituted arylmethyl and heteroarylmethyl ureas, analogs thereof, and methods of using the same 爱彼特生物制药公司 2022-01-11 CN 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-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, HMBS, AHCY KMT2A 271/4885MEN1 1955/4885TP53 1095/4885

“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.