SCHEMBL2459883

SCHEMBL2459883

COc1cccc(NC(=O)c2ccc3c(Cl)nnc(Cl)c3c2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.65
RAB9A P51151 7/20 0.65
RXFP1 Q9HBX9 1/20 0.65
ALDH1A1 P00352 4/20 0.64
TP53 P04637 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
PKM P14618 1/20 0.64
KMT2A Q03164 1/20 0.64
NLRP3 Q96P20 1/20 0.60
KCNQ3 O43525 1/20 0.60
KCNQ2 O43526 1/20 0.60
MAPT P10636 1/20 0.58
TRPV1 Q8NER1 1/20 0.58
KCNK3 O14649 1/20 0.57
KCNK9 Q9NPC2 1/20 0.57
HTT P42858 1/20 0.57
PLAU P00749 1/20 0.57

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
SCHEMBL2462116 0.86 MAPT (0.58) NPC1RAB9ARXFP1ALDH1A1SMN1; SMN2
SCHEMBL2460273 0.85 NPC1 (0.52) NPC1RAB9ARXFP1ALDH1A1TP53
SCHEMBL2456526 0.85 NPC1 (0.52) NPC1RAB9ARXFP1ALDH1A1TP53
SCHEMBL2456420 0.85 NPC1 (0.58) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL2456673 0.84 MEN1 (0.62) NPC1RAB9ARXFP1ALDH1A1TP53
SCHEMBL2459861 0.82 JAK2 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
Aniline SCHEMBL2489874 0.81 NPC1 (0.47) NPC1RAB9ARXFP1ALDH1A1TP53
SCHEMBL10055020 0.81 NPC1 (0.94) NPC1RAB9ARXFP1ALDH1A1TP53
SCHEMBL4254961 0.81 RXFP1 (0.74) NPC1RAB9ARXFP1ALDH1A1TP53
Benzamide SCHEMBL2489873 0.81 NPC1 (0.49) NPC1RAB9ARXFP1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 US disclosed
US-20110237571-A1 PHTHALAZINE DERIVATIVES ARALDI GIAN-LUCA 2011-09-29 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 (1 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-20110237571-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 NPC1 2569/4885RAB9A 3930/4885RXFP1 4802/4885

“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.