SCHEMBL17324813

SCHEMBL17324813

COc1cccc2cc(C(C)=O)[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.61
HRH4 Q9H3N8 2/20 0.61
IDO1 P14902 1/20 0.56
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
GAA P10253 2/20 0.50
GLA P06280 1/20 0.50
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
LMNA P02545 2/20 0.48
RECQL P46063 2/20 0.48
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
TP53 P04637 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL1144995 0.87 HPGD (0.62) FLT3HRH4IDO1MTNR1AMTNR1B
SCHEMBL5355599 0.86 GLA (0.68) FLT3HRH4IDO1MTNR1AMTNR1B
SCHEMBL17321408 0.83 FLT3 (0.57) FLT3HRH4IDO1MTNR1AMTNR1B
SCHEMBL24019646 0.83 IDO1 (0.62) FLT3HRH4IDO1MTNR1AMTNR1B
SCHEMBL3276252 0.81 KDM4E (0.57) FLT3HRH4IDO1MTNR1AMTNR1B
SCHEMBL6860186 0.81 FLT3 (0.77) FLT3HRH4
SCHEMBL6400999 0.79 FLT3 (0.59) FLT3HRH4IDO1MTNR1AMTNR1B
SCHEMBL7873936 0.79 HRH4 (0.50) FLT3HRH4IDO1MTNR1AMTNR1B
SCHEMBL18354217 0.78 NSD2 (0.61) HRH4GLADRD2DRD3KDM4E
SCHEMBL10507997 0.78 HRH4 (0.52) FLT3HRH4IDO1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-9926282-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-27 US disclosed
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-10 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 (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-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 FLT3 3766/4885HRH4 3706/4885IDO1 314/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV FLT3 2239/4885HRH4 4259/4885IDO1 1859/4885

“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.