Sugi Predict

Sugi Predict / Compounds / SCHEMBL1027644

SCHEMBL1027644

SCHEMBL1027644

N#Cc1ccc(-c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 3/20 0.57
▸ TDP1 Q9NUW8 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ MAPT P10636 4/20 0.51
▸ MAPK1 P28482 1/20 0.47
▸ RAB9A P51151 1/20 0.45
▸ CYP19A1 P11511 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ KAT2B Q92831 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ EIF4E P06730 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL27806615 0.89 VCAM1 (0.58) VCAM1TDP1ALDH1A1MAPTMAPK1
SCHEMBL28426165 0.85 CNR1 (0.48) VCAM1TDP1ALDH1A1MAPTMAPK1
SCHEMBL4667148 0.84 VCAM1 (0.54) VCAM1TDP1MAPTMAPK1KAT2B
SCHEMBL4667731 0.81 VCAM1 (0.50) VCAM1ALDH1A1MAPTRAB9AHPGD
SCHEMBL14469794 0.81 NPC1 (0.51) VCAM1ALDH1A1RAB9ALMNAGAA
SCHEMBL6981433 0.80 ALDH1A1 (0.65) VCAM1TDP1ALDH1A1MAPTEIF4E
SCHEMBL11443602 0.79 ALDH1A1 (0.50) TDP1ALDH1A1MAPTRAB9ACRHBP
SCHEMBL99637 0.78 ALDH1A1 (0.61) TDP1ALDH1A1MAPTRAB9ACRHBP
Water SCHEMBL27408458 0.78 ALDH1A1 (0.61) TDP1ALDH1A1MAPTMAPK1RAB9A
SCHEMBL9264032 0.78 ALDH1A1 (0.49) TDP1ALDH1A1MAPTMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116199599-B Method for preparing aryl nitrile compound 江苏师范大学 2024-11-15 — — CN disclosed
CN-116199599-A Method for preparing aryl nitrile compound 江苏师范大学 2023-06-02 — — CN disclosed
CN-115448957-A Novel tetradentate platinum complexes 通用显示公司 2022-12-09 — — CN disclosed
CN-111732611-B Novel tetradentate platinum complexes 通用显示公司 2022-08-23 — — CN disclosed
CN-111732611-A Novel tetradentate platinum complexes 通用显示公司 2020-10-02 — — CN disclosed
CN-106749425-B Novel tetradentate platinum complexes 通用显示公司 2020-07-14 — — CN disclosed
US-10381580-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-08-13 — — US disclosed
US-10381580-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-08-13 — — US disclosed
US-20180151816-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2018-05-31 — — US disclosed
US-20180151816-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2018-05-31 — — US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 — — EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 — — US disclosed
CN-102056894-A Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORP 2011-05-11 — — CN disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 — — US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 — — EP disclosed
CN-101935301-A Modulators of ATP-binding cassette transporters VERTEX PHARMA 2011-01-05 — — CN disclosed
CN-101891680-A The adjusting control agent of ATP- combination cassette transporters VERTEX PHARMA 2010-11-24 — — CN disclosed
US-5547966-A Aryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-20 — — US disclosed
EP-0656350-A1 Biaryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-07 — — EP disclosed
US-5264512-A Amorphous copolymers, transparent in the visible range, for non-linear optical applications THOMSON-CSF (FR) 1993-11-23 — — 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 (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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 VCAM1 213/4885TDP1 4245/4885ALDH1A1 180/4885
US-10381580-B2 Organic electroluminescent materials and devices TEC, EML4, TPR VCAM1 3527/4885TDP1 1824/4885ALDH1A1 2604/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 VCAM1 2609/4885TDP1 744/4885ALDH1A1 600/4885
US-20180151816-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES TEC, EML4, TPR VCAM1 3527/4885TDP1 1824/4885ALDH1A1 2604/4885

“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.