SCHEMBL17779290

SCHEMBL17779290

COc1cc(N)c(C(=O)N2CCCCC2)cc1N1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
HPGD P15428 3/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.48
ALDH1A1 P00352 5/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.42
ALDH1A3 P47895 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL17779231 0.99 MEN1 (0.56) KMT2AMEN1HPGDLMNATSHR
SCHEMBL17779282 0.91 POLB (0.48) KMT2AMEN1HPGDLMNATSHR
SCHEMBL17779277 0.84 KDM4E (0.50) KMT2AMEN1TSHRGAAALDH1A1
SCHEMBL12791638 0.83 KMT2A (0.57) KMT2AMEN1HPGDLMNATSHR
SCHEMBL12793408 0.83 KMT2A (0.57) KMT2AMEN1HPGDLMNATSHR
SCHEMBL17774959 0.82 ALDH1A1 (0.46) KMT2AMEN1HPGDLMNATSHR
SCHEMBL12792248 0.82 MEN1 (0.59) KMT2AMEN1HPGDLMNATSHR
SCHEMBL17774978 0.80 HPGD (0.44) KMT2AMEN1HPGDLMNATSHR
SCHEMBL17774955 0.79 HSD11B1 (0.51) KMT2AMEN1HPGDLMNATSHR
SCHEMBL10810169 0.78 ALDH1A1 (0.57) KMT2AMEN1LMNAGAAALDH1A1

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-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 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-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION KRT18, ARSA, SQOR KMT2A 1157/4885MEN1 4240/4885HPGD 588/4885

“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.