Sugi Predict

Sugi Predict / Compounds / SCHEMBL2537590

SCHEMBL2537590

SCHEMBL2537590

O=Cc1cc(Cl)cc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ VCAM1 P19320 1/20 0.46
▸ TSHR P16473 2/20 0.42
▸ XDH P47989 1/20 0.42
▸ CYP19A1 P11511 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.39
▸ GPR35 Q9HC97 1/20 0.39
▸ ERN1 O75460 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ ALDH5A1 P51649 1/20 0.38
▸ ABAT P80404 1/20 0.38
▸ FBP1 P09467 3/20 0.38
▸ VCP P55072 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
SCHEMBL348330 0.85 CYP19A1 (0.56) ALDH1A1VCAM1TSHRXDHCYP19A1
SCHEMBL1548019 0.85 CYP19A1 (0.50) ALDH1A1VCAM1TSHRXDHCYP19A1
SCHEMBL16952819 0.82 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCYP19A1HSD17B10
SCHEMBL13228708 0.82 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCYP19A1HSD17B10
SCHEMBL204235 0.80 ALDH1A1 (0.61) ALDH1A1TDP1VCAM1TSHRCYP19A1
SCHEMBL1943699 0.80 CYP19A1 (0.62) ALDH1A1TDP1VCAM1TSHRCYP19A1
Benzene SCHEMBL27733872 0.76 ALDH1A1 (0.61) ALDH1A1TDP1VCAM1TSHRCYP19A1
Nitrogen SCHEMBL9840130 0.76 CYP19A1 (0.56) ALDH1A1TDP1VCAM1TSHRCYP19A1
SCHEMBL3064197 0.76 TSHR (0.65) ALDH1A1TDP1VCAM1TSHRXDH
SCHEMBL15338592 0.76 LMNA (0.44) ALDH1A1VCAM1TSHRXDHCYP19A1

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4585265-A2 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2025-07-16 — — EP disclosed
CN-118515616-B Preparation method and application of squaraine small molecule compound and derivative 华中农业大学 2025-05-06 — — CN disclosed
CN-118515616-A Preparation method and application of squaraine small molecule compound and derivative 华中农业大学 2024-08-20 — — CN disclosed
CN-118515617-A Preparation method and application of thiourea small molecular compound and derivative 华中农业大学 2024-08-20 — — CN disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — US disclosed
EP-4308230-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 — — CN disclosed
US-11629139-B2 Small molecule inhibitors of Ebola and Lassa fever viruses and methods of use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-18 — — US disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
US-20070043076-A1 Substituted 2-arylmethylene-n-aryl-n'aryl-malonamides and analogs as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2007-02-22 — — US disclosed
WO-2006063763-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2006-06-22 — — WO disclosed
WO-2005037196-A2 SUBSTITUTED 2-ARYLMETHYLENE-N-ARYL-N'-ARYL-MALONAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2005-04-28 — — WO disclosed
CN-1170842-C New amidinobenzylamine derivatives and their use as thrombin inhibitors — 2004-10-13 — — CN disclosed
US-6599894-B1 Competitive inhibitors of trypsin-like proteases, such as thrombin, and in treatment of conditions where inhibition of thrombin is required (e.g. thrombosis) or as anticoagulants AstŕaZeneca AB (SE) 2003-07-29 — — US disclosed
CN-1343217-A New amidinobenzylamine derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2002-04-03 — — CN disclosed
EP-1150996-A1 NEW AMIDINOBENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2001-11-07 — — EP disclosed
WO-2000042059-A1 NEW AMIDINOBENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2000-07-20 — — WO disclosed
US-4618623-A ANIMAL GROWTH REGULATORS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1986-10-21 — — US disclosed
US-4570002-A ANIMAL FEED ADDITIVES EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1986-02-11 — — 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 (3 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-11629139-B2 Small molecule inhibitors of Ebola and Lassa fever viruses and methods of use CCR8, RPS8, HDHD5 ALDH1A1 3354/4885TDP1 4598/4885VCAM1 1852/4885
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 ALDH1A1 3026/4885TDP1 3281/4885VCAM1 577/4885
US-20070043076-A1 Substituted 2-arylmethylene-n-aryl-n'aryl-malonamides and analogs as activators of caspases and inducers of apoptosis CASP14, CASP2, CASP3 ALDH1A1 952/4885TDP1 3387/4885VCAM1 2797/4885

“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.