SCHEMBL21857352

SCHEMBL21857352

O=[N+]([O-])c1cc(Br)cnc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.56
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
ATM Q13315 1/20 0.48
MGMT P16455 2/20 0.47
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
CYP19A1 P11511 2/20 0.44
CNR1 P21554 1/20 0.44
ACHE P22303 1/20 0.44
CNR2 P34972 1/20 0.44
POLB P06746 1/20 0.41
MAOB P27338 1/20 0.41
PTGES O14684 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
CTSV O60911 1/20 0.40
CTSL P07711 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
SCHEMBL29457514 1.00 PIN1 (0.56) PIN1MEN1KMT2ARAB9ANPC1
SCHEMBL21953493 0.83 PIN1 (0.56) PIN1MEN1KMT2ARAB9ANPC1
SCHEMBL13424765 0.78 PIN1 (0.64) PIN1MEN1KMT2ARAB9ANPC1
SCHEMBL858319 0.78 MAPT (0.42) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL28526026 0.78 AKR1B1 (0.35) PIN1MEN1KMT2ARAB9ANPC1
SCHEMBL21876556 0.78 PIN1 (0.39) PIN1MEN1KMT2ARAB9ANPC1
SCHEMBL23793998 0.78 KMT2A (0.53) PIN1MEN1KMT2ARAB9ANPC1
SCHEMBL29831476 0.78 PIN1 (0.50) PIN1MEN1KMT2ARAB9ANPC1
SCHEMBL17594985 0.77 MAOB (0.49) RAB9AMAOBMAPTLMNA
SCHEMBL8798119 0.77 PIN1 (0.63) PIN1MEN1KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 US disclosed
EP-4225746-A1 MRGX2 ANTAGONISTS GlaxoSmithKline Intellectual Property Development Limited (GB) 2023-08-16 EP disclosed
US-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PREC MEDICINES INC (US) 2023-07-13 US disclosed
CN-116390917-A MRGX2 antagonists 葛兰素史密斯克莱知识产权发展有限公司 2023-07-04 CN disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
WO-2022073904-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 WO disclosed
US-20220112174-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 US disclosed
CN-113396145-A PFKFB3 inhibitors and uses thereof 盖罗发现有限责任公司 2021-09-14 CN disclosed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 WO disclosed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 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-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B PIN1 3333/4885MEN1 1134/4885KMT2A 1112/4885
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 PIN1 926/4885MEN1 3253/4885KMT2A 1147/4885
US-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 PIN1 3883/4885MEN1 455/4885KMT2A 2000/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 PIN1 3883/4885MEN1 455/4885KMT2A 2000/4885

“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.