SCHEMBL17774887

SCHEMBL17774887

Nc1ccc(O)cc1C(=O)NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.58
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
HPGD P15428 5/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HSD17B10 Q99714 1/20 0.55
USP2 O75604 1/20 0.54
SYK P43405 1/20 0.54
HSP90AA1 P07900 1/20 0.54
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
APEX1 P27695 1/20 0.51
METAP2 P50579 1/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51

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
SCHEMBL3132663 0.90 NSD2 (0.49) NSD2KMT2ANPC1RAB9AHPGD
SCHEMBL2236766 0.82 HPGD (0.77) NSD2KMT2AHPGDKDM4EALDH1A1
SCHEMBL2267873 0.81 HSP90AA1 (0.64) KMT2ANPC1RAB9AHPGDALDH1A1
SCHEMBL6940724 0.81 MEN1 (0.61) NSD2KMT2ANPC1RAB9AHPGD
SCHEMBL11686594 0.80 NSD2 (0.60) NSD2KMT2AHPGDKDM4EALDH1A1
SCHEMBL11403224 0.78 NSD2 (0.85) NSD2KMT2AHPGDKDM4EALDH1A1
SCHEMBL5162641 0.78 ALDH1A1 (0.51) KMT2ARAB9AHPGDALDH1A1SYK
SCHEMBL6887760 0.78 NAAA (0.48) HPGDKDM4EALDH1A1HSD17B10USP2
SCHEMBL3138003 0.77 MEN1 (0.48) KMT2ANPC1RAB9ALMNAGAA
SCHEMBL8476305 0.77 EPHX2 (0.56) KMT2AHPGDALDH1A1LMNACYP2C9

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-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-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
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 NSD2 846/4885KMT2A 1157/4885NPC1 4673/4885

“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.