SCHEMBL20117060

SCHEMBL20117060

Cc1ccc2cnn(C(F)F)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.44
HDAC4 P56524 3/20 0.38
CYP1A2 P05177 4/20 0.37
CYP2A6 P11509 2/20 0.37
HDAC8 Q9BY41 2/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
ELANE P08246 1/20 0.34
CHRM2 P08172 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 2/20 0.34
TGFBR1 P36897 1/20 0.33
SYK P43405 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
HTR1D P28221 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL25512215 0.87 HDAC8 (0.46) KMOCYP1A2CYP2A6HDAC8HTR2A
SCHEMBL19699718 0.84 KMO (0.45) KMOCYP1A2CYP2A6HDAC8HTR2A
SCHEMBL20117057 0.80 KMO (0.47) KMOCYP1A2CYP2A6HDAC8HTR2A
SCHEMBL29520784 0.80 HTR2C (0.50) KMOHDAC4CYP1A2HTR2AHTR2C
SCHEMBL20025157 0.79 KMO (0.40) KMOHDAC4HDAC8HTR2AHTR2C
SCHEMBL30168550 0.79 CHEK1 (0.38) KMOHDAC4HTR2AHTR2CCHRM2
SCHEMBL15910832 0.79 CHEK1 (0.38) KMOHDAC4HTR2AHTR2CCHRM2
SCHEMBL20117056 0.78 KMO (0.48) KMOCYP1A2CYP2A6HDAC8HTR2A
SCHEMBL21509552 0.78 HDAC8 (0.52) KMOHDAC4CYP1A2CYP2A6HDAC8
SCHEMBL29602247 0.77 RECQL (0.43) KMOCYP1A2HDAC8ELANEADRA2A

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-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-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 KMO 1174/4885HDAC4 496/4885CYP1A2 1091/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 KMO 1174/4885HDAC4 496/4885CYP1A2 1091/4885

“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.