SCHEMBL9980468

SCHEMBL9980468

O=C1N=CCc2c(Nc3ccccc3)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPK1 P28482 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
GLA P06280 2/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
NFKB1 P19838 2/20 0.41
BLM P54132 2/20 0.41
RGS12 O14924 1/20 0.41
GMNN O75496 1/20 0.41
PRKD3 O94806 1/20 0.41
EGFR P00533 1/20 0.41
PRKCG P05129 1/20 0.41

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
SCHEMBL307690 0.70 TYMS (0.39)
SCHEMBL9194801 0.70 PARP1 (0.46) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL4230483 0.70 CDK5 (0.49) KMT2AKDM4EHSD17B10
SCHEMBL215326 0.70 PARP1 (0.46) MAPTMEN1KMT2AALDH1A1TDP1
Hydrochloric Acid SCHEMBL5496370 0.69 PARP1 (0.45) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL2962689 0.69 MEN1 (0.43) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL2612577 0.66 MAPT (0.56) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL68635 0.66 NPC1 (0.55) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL13363917 0.66 MAPT (0.61) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL29824315 0.65 CA12 (0.42) MEN1KMT2ATSHRCDC25BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598418-B2 Substituted phthalazin-1 (2H)-one derivatives as selective inhibitors of poly (ADP-ribose) polymerase-1 CADILA HEALTHCARE LIMITED (IN) 2017-03-21 US disclosed
EP-2938598-B1 SUBSTITUTED PHTHALAZIN-1(2H)-ONE DERIVATIVES AS SELECTIVE INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE-1 CADILA HEALTHCARE LTD (IN) 2016-12-21 EP disclosed
EP-2938598-A1 SUBSTITUTED PHTHALAZIN-1 (2H)-ONE DERIVATIVES AS SELECTIVE INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE-1 Cadila Healthcare Limited (IN) 2015-11-04 EP disclosed
US-20150291603-A1 SUBSTITUTED PHTHALAZIN-1 (2H)-ONE DERIVATIVES AS SELECTIVE INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE-1 CADILA HEALTHCARE LIMITED (IN) 2015-10-15 US disclosed
US-20150141580-A1 OPTIMIZED DRUG CONJUGATES SYNDEVRX, INC. 2015-05-21 US disclosed
WO-2014102817-A1 SUBSTITUTED PHTHALAZIN-1 (2H)-ONE DERIVATIVES AS SELECTIVE INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE-1 CADILA HEALTHCARE LIMITED (IN) 2014-07-03 WO disclosed
US-20130137831-A1 OPTIMIZED DRUG CONJUGATES SYNDEVRX, INC. 2013-05-30 US disclosed
EP-2575887-A1 OPTIMIZED DRUG CONJUGATES Syndevrx (US) 2013-04-10 EP disclosed
US-20110294952-A1 Optimized Drug Conjugates SynDevRX (US) 2011-12-01 US disclosed
WO-2011150088-A1 OPTIMIZED DRUG CONJUGATES SynDevRX (US) 2011-12-01 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 (4 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-20110294952-A1 Optimized Drug Conjugates ABCB1, ABCG2, UGT1A3 MAPT 793/4885MEN1 1471/4885KMT2A 2109/4885
US-20150141580-A1 OPTIMIZED DRUG CONJUGATES ABCB1, ABCG2, UGT1A3 MAPT 793/4885MEN1 1471/4885KMT2A 2109/4885
US-20150291603-A1 SUBSTITUTED PHTHALAZIN-1 (2H)-ONE DERIVATIVES AS SELECTIVE INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE-1 PARP1, PARP11, PARP2 MAPT 55/4885MEN1 2986/4885KMT2A 1999/4885
US-20130137831-A1 OPTIMIZED DRUG CONJUGATES ABCB1, ABCG2, UGT1A3 MAPT 793/4885MEN1 1471/4885KMT2A 2109/4885

“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.