SCHEMBL22497571

SCHEMBL22497571

O=C(Nc1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1I)c1cccc([N+](=O)[O-])c1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
KCNMA1 Q12791 4/20 0.41
RAB9A P51151 1/20 0.40
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2C9 P11712 2/20 0.38
DHODH Q02127 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL1766795 0.93 P2RX1 (0.47) P2RX1KMT2AMEN1KCNMA1L3MBTL1
SCHEMBL1767290 0.93 P2RX1 (0.47) P2RX1KMT2AMEN1KCNMA1RAB9A
SCHEMBL29257321 0.89 P2RX1 (0.47) P2RX1KMT2AMEN1KCNMA1RAB9A
SCHEMBL31175825 0.89 KMT2A (0.47) P2RX1KMT2AMEN1KCNMA1RAB9A
SCHEMBL29615050 0.88 P2RX1 (0.46) P2RX1KMT2AMEN1KCNMA1RAB9A
SCHEMBL1766569 0.88 P2RX1 (0.46) P2RX1KMT2AMEN1KCNMA1CYP2C9
SCHEMBL16155805 0.88 P2RX1 (0.43) P2RX1KMT2AMEN1KCNMA1RAB9A
SCHEMBL29549704 0.88 P2RX1 (0.46) P2RX1KMT2AMEN1KCNMA1CYP2C9
SCHEMBL29695914 0.88 P2RX1 (0.46) P2RX1KMT2AMEN1KCNMA1CYP2C9
SCHEMBL1766786 0.88 P2RX1 (0.46) P2RX1KMT2AMEN1KCNMA1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115038691-B Bisamide compound and application thereof 广西思钺生物科技有限责任公司 2023-10-27 CN disclosed
CN-113149900-B Amide compound and application thereof 沈阳化工大学 2023-09-15 CN disclosed
CN-112430210-B Bisamide compound and application thereof 沈阳化工大学 2023-08-18 CN disclosed
CN-111793008-B Meta-diamide compound and application thereof 沈阳化工大学 2023-08-01 CN disclosed
CN-112430211-B Isophthalamide compound and application thereof 沈阳化工大学 2023-06-02 CN disclosed
CN-114555559-B Isophthalamide compound and application thereof 广西思钺生物科技有限责任公司 2023-04-18 CN disclosed
US-20230065544-A1 ISOPHTHALAMINDE COMPOUND AND USE THEREOF Metisa Biotechnology Co., Ltd (CN) 2023-03-02 US disclosed
CN-115038691-A Bisamide compound and application thereof 广西思钺生物科技有限责任公司 2022-09-09 CN disclosed
US-20220220073-A1 BISAMIDE COMPOUND AND APPLICATION THEREOF Metisa Biotechnology Co., Ltd (CN) 2022-07-14 US disclosed
CN-114555559-A Isophthalamide compound and application thereof 广西思钺生物科技有限责任公司 2022-05-27 CN disclosed
CN-113149900-A Amide compound and application thereof 沈阳化工大学 2021-07-23 CN disclosed
WO-2021139370-A1 AMIDE COMPOUND AND APPLICATION THEREOF 沈阳化工大学 2021-07-15 WO disclosed
WO-2021036965-A1 ISOPHTHALAMIDE COMPOUND AND USE THEREOF 沈阳化工大学 2021-03-04 WO disclosed
WO-2021036966-A1 BISAMIDE COMPOUND AND APPLICATION THEREOF 沈阳化工大学 2021-03-04 WO disclosed
CN-112430210-A Bisamide compound and application thereof 沈阳化工大学 2021-03-02 CN disclosed
CN-112430211-A Isophthalamide compound and application thereof 沈阳化工大学 2021-03-02 CN disclosed
CN-111793008-A Metadiamide compound and application thereof 沈阳化工大学 2020-10-20 CN disclosed
WO-2020200290-A1 META-DIAMIDE COMPOUND AND APPLICATION THEREOF 沈阳化工大学 2020-10-08 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-20230065544-A1 ISOPHTHALAMINDE COMPOUND AND USE THEREOF DDT, INMT, CYP2B6 P2RX1 2468/4885KMT2A 431/4885MEN1 3673/4885
US-20220220073-A1 BISAMIDE COMPOUND AND APPLICATION THEREOF FHIT, DDT, BCHE P2RX1 1495/4885KMT2A 116/4885MEN1 2244/4885

“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.