SCHEMBL20116932

SCHEMBL20116932

COc1ccc(-c2noc(CCNC(=O)CNC(=O)c3ccccc3)n2)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.71
TSHR P16473 2/20 0.69
HPGD P15428 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
POLB P06746 1/20 0.65
MAPT P10636 4/20 0.57
LMNA P02545 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
THRB P10828 2/20 0.57
MAPK1 P28482 1/20 0.57
ALDH1A1 P00352 1/20 0.54
PKM P14618 1/20 0.54

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
SCHEMBL20116933 0.85 CYP1A2 (0.65) KMT2ATSHRHPGDCYP1A2CYP2D6
SCHEMBL2775936 0.79 ALDH1A1 (0.69) KMT2AHPGDSMN1; SMN2POLBMAPT
SCHEMBL493438 0.74 KMT2A (0.67) KMT2APOLBMAPT
SCHEMBL20116598 0.74 MAPT (0.55) KMT2ASMN1; SMN2MAPTLMNATHRB
SCHEMBL20116462 0.72 SMO (0.57) KMT2ATSHRCYP3A4CYP2C9CYP2C19
SCHEMBL30720960 0.72 SMO (0.57) KMT2ATSHRCYP3A4CYP2C9CYP2C19
SCHEMBL6407962 0.71 SMN1; SMN2 (0.57) KMT2AHPGDCYP1A2SMN1; SMN2POLB
SCHEMBL20116127 0.70 NR1H4 (0.55) KMT2ATSHRCYP3A4CYP2C9CYP2C19
SCHEMBL493923 0.70 KMT2A (0.65) KMT2APOLBMAPT
SCHEMBL29356619 0.70 ALDH1A1 (0.77) KMT2AHPGDSMN1; SMN2POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO 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 (2 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 KMT2A 2479/4885TSHR 4679/4885HPGD 565/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 KMT2A 2479/4885TSHR 4679/4885HPGD 565/4885

“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.