SCHEMBL22721850

SCHEMBL22721850

O=c1c2ccccc2c(OS(=O)(=O)C(F)(F)F)nn1-c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPSR1 Q6W5P4 4/20 0.51
ABCB1 P08183 7/20 0.47
LMNA P02545 2/20 0.44
PAX8 Q06710 1/20 0.41
AURKA O14965 1/20 0.41
SYK P43405 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX5 P09917 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL29540232 1.00 GAA (0.53) GAANPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL25546330 0.91 NPSR1 (0.47) GAANPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL20945142 0.86 ABCB1 (0.42) GAANPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL20962577 0.86 AURKA (0.45) GAANPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL28695029 0.86 HTT (0.57) NPSR1LMNACA12CA1CA2
SCHEMBL20962572 0.84 CA12 (0.38) GAANPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL20962563 0.81 CA12 (0.36) GAANPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL20962584 0.80 CA12 (0.38) GAANPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL20945114 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ABCB1CA12CA1CA2
SCHEMBL20962555 0.80 CA12 (0.41) GAANPC1RAB9ASMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113840820-B Phthalazinone compounds and uses thereof ST制药株式会社 2024-05-03 CN disclosed
US-20220235011-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF ST PHARM CO., LTD. (KR) 2022-07-28 US disclosed
EP-3978480-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF ST Pharm Co., Ltd. (KR) 2022-04-06 EP disclosed
CN-113840820-A Phthalazinone compounds and uses thereof ST制药株式会社 2021-12-24 CN disclosed
WO-2020242245-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF 에스티팜 주식회사 2020-12-03 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 (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-20220235011-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF SIRT6, SIRT1, SIRT2 GAA 2224/4885NPC1 1087/4885RAB9A 1699/4885

“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.