SCHEMBL217722

SCHEMBL217722

O=C(O)COc1cccc([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
CHRNB2 P17787 1/20 0.56
CHRNA4 P43681 1/20 0.56
PTGDR2 Q9Y5Y4 1/20 0.56
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.55
PSEN1 P49768 1/20 0.55
PSEN2 P49810 1/20 0.55
APH1B Q8WW43 1/20 0.55
NCSTN Q92542 1/20 0.55
APH1A Q96BI3 1/20 0.55
PSENEN Q9NZ42 1/20 0.55
ALOX15 P16050 1/20 0.55
THRB P10828 1/20 0.53
HPGD P15428 1/20 0.53
MAOB P27338 1/20 0.52
MAPT P10636 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52

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
SCHEMBL30601989 0.86 CHRNB2 (0.55) LMNACHRNB2CHRNA4ALDH1A1MEN1
SCHEMBL30023557 0.86 CHRNB2 (0.55) LMNACHRNB2CHRNA4ALDH1A1MEN1
SCHEMBL27468480 0.86 CHRNB2 (0.55) LMNACHRNB2CHRNA4ALDH1A1MEN1
SCHEMBL7939211 0.86 CHRNB2 (0.55) LMNACHRNB2CHRNA4ALDH1A1MEN1
SCHEMBL657597 0.86 CHRNB2 (0.55) LMNACHRNB2CHRNA4ALDH1A1MEN1
SCHEMBL10753064 0.86 CHRNB2 (0.58) LMNACHRNB2CHRNA4ALDH1A1MEN1
SCHEMBL11454145 0.85 KMT2A (0.63) LMNAALDH1A1MEN1KMT2APOLB
SCHEMBL11586211 0.84 PTGDR2 (0.57) CHRNB2CHRNA4PTGDR2ALDH1A1MEN1
SCHEMBL29833128 0.84 MEN1 (0.62) LMNACHRNB2CHRNA4ALDH1A1MEN1
SCHEMBL28851332 0.84 MEN1 (0.62) LMNACHRNB2CHRNA4ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
US-8450529-B2 Branched polyamines and formulations thereof for use in medical devices COVIDIEN LP (US) 2013-05-28 US claimed
EP-2223952-B1 Adhesive formulations TYCO HEALTHCARE (US) 2012-05-09 EP claimed
EP-2172508-B1 Process for preparing branched polyamines and formulations thereof for use in medical applications TYCO HEALTHCARE (US) 2012-03-28 EP claimed
EP-2223952-A1 Adhesive formulations Tyco Healthcare Group LP (US) 2010-09-01 EP claimed
US-20100209380-A1 ADHESIVE FORMULATIONS COVIDIEN LP 2010-08-19 US claimed
US-20100087668-A1 Branched Polyamines And Formulations Thereof For Use In Medical Devices TYCO HEALTHCARE GROUP LP 2010-04-08 US claimed
EP-2172508-A1 Branched polyamines and formulations thereof for use in medical devices Tyco Healthcare Group LP (US) 2010-04-07 EP claimed
JP-57059855-A None JP disclosed
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 US disclosed
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 US disclosed
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed
US-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 US disclosed
EP-0590885-A1 Antibiotic carbapenem compounds ZENECA LIMITED (GB) 1994-04-06 EP disclosed
JP-S5759855-A N4-PHENOXYALKANOYLSULFANILAMIDE AND HERBICIDE SHIONOGI & CO LTD 1982-04-10 JP disclosed
US-4314845-A N4 -Phenoxyalkanoylsulfanilamides and herbicidal composition containing the same SHIONOGI & CO., LTD. (JP) 1982-02-09 US disclosed
US-4255511-A HYDRAZIDO SUBSTITUTED AROMATIC THIOUREAS FUJI PHOTO FILM CO., LTD. (JP) 1981-03-10 US disclosed
US-4243739-A HYDRAZIDE FUJI PHOTO FILM CO., LTD. (JP) 1981-01-06 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 (5 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-20100209380-A1 ADHESIVE FORMULATIONS NOS2, ICAM1, NOS3 LMNA 3051/4885CHRNB2 2778/4885CHRNA4 3604/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK LMNA 4283/4885CHRNB2 4603/4885CHRNA4 4695/4885
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 LMNA 4489/4885CHRNB2 4584/4885CHRNA4 4568/4885
US-20100087668-A1 Branched Polyamines And Formulations Thereof For Use In Medical Devices SRM, PNMT, PARG LMNA 2902/4885CHRNB2 3966/4885CHRNA4 4651/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK LMNA 4283/4885CHRNB2 4603/4885CHRNA4 4695/4885

“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.