SCHEMBL20108803

SCHEMBL20108803

CC(C)(N)C(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMO Q99835 9/20 0.67
KMT2A Q03164 6/20 0.63
KDR P35968 2/20 0.55
MEN1 O00255 5/20 0.54
POLB P06746 1/20 0.54
ADRB2 P07550 1/20 0.54
ALDH1A1 P00352 5/20 0.53
NPSR1 Q6W5P4 4/20 0.53
MAPK1 P28482 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 3/20 0.52
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 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
Hydrochloric Acid SCHEMBL21221771 0.99 SMO (0.66) SMOKMT2AKDRMEN1POLB
SCHEMBL20108914 0.88 SMO (0.61) SMOKMT2AKDRMEN1POLB
Hydrochloric Acid SCHEMBL21221841 0.87 SMO (0.60) SMOKMT2AKDRMEN1POLB
SCHEMBL20109424 0.87 SMO (0.57) SMOKMT2AMEN1POLBADRB2
SCHEMBL20108952 0.87 SMO (0.57) SMOKMT2AKDRMEN1POLB
Hydrochloric Acid SCHEMBL21221791 0.86 SMO (0.56) SMOKMT2AKDRMEN1POLB
SCHEMBL20109425 0.86 SMO (0.56) SMOKMT2AMEN1POLBADRB2
SCHEMBL20108809 0.86 SMO (0.72) SMO
SCHEMBL20108807 0.86 SMO (0.72) SMO
Hydrochloric Acid SCHEMBL21221730 0.85 SMO (0.55) SMOKMT2AMEN1POLBADRB2

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-10947241-B2 Phenyl phthalazine derivative, method for the preparation thereof, and pharmaceutical composition comprising the same SEOUL NATIONAL UNIVERSITY HOSPITAL (KR) 2021-03-16 US disclosed
US-20190241574-A1 PHENYL PHTHALAZINE DERIVATIVE, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SEOUL NATIONAL UNIVERSITY HOSPITAL (KR) 2019-08-08 US disclosed
WO-2018080216-A1 PHENYL PHTHALAZINE DERIVATIVE, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 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-20190241574-A1 PHENYL PHTHALAZINE DERIVATIVE, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME PAH, HDAC5, SLC5A1 SMO 767/4885KMT2A 804/4885KDR 1710/4885
US-10947241-B2 Phenyl phthalazine derivative, method for the preparation thereof, and pharmaceutical composition comprising the same PAH, HDAC5, SLC5A1 SMO 767/4885KMT2A 804/4885KDR 1710/4885

“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.