SCHEMBL349780

SCHEMBL349780

O=[C]NCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
CYP3A4 P08684 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ATM Q13315 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
KDM1A O60341 1/20 0.52
CYP1A2 P05177 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
IDO1 P14902 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
MAOA P21397 1/20 0.52
PTGS1 P23219 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
SCHEMBL5420659 0.88 FFAR1 (0.48) LMNAATMTAAR1TSHRPTGS1
SCHEMBL2074321 0.87 SIGMAR1 (0.59) ALDH1A1NPC1RAB9ACYP2D6CYP2C9
SCHEMBL1270020 0.85 SIGMAR1 (0.59) LMNATSHRSIGMAR1L3MBTL1
SCHEMBL5250174 0.84 SIGMAR1 (0.62) SIGMAR1L3MBTL1
SCHEMBL11104163 0.84 SIGMAR1 (0.62) SIGMAR1L3MBTL1
SCHEMBL11106258 0.84 SIGMAR1 (0.62) SIGMAR1L3MBTL1
SCHEMBL5256815 0.84 SIGMAR1 (0.62) SIGMAR1L3MBTL1
SCHEMBL7812980 0.84 SIGMAR1 (0.62) SIGMAR1L3MBTL1
SCHEMBL8185928 0.81 HTR2A (0.52) LMNACYP3A4ATMTAAR1CYP1A2
SCHEMBL2701813 0.78 TMEM97 (0.55) ALDH1A1LMNANPC1RAB9ASMN1; SMN2

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 1443 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US claimed
EP-3743061-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS Pascal Biosciences Inc. (CA) 2020-12-02 EP claimed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 EP claimed
CN-111727185-A Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances 拜耳公司 2020-09-29 CN claimed
CN-111518051-A Aliphatic group substituted thiazolinone compound, preparation method, medicinal composition and application thereof 中国科学技术大学 2020-08-11 CN claimed
US-20200095241-A1 SUBSTITUTED 1,2,4-THIADIAZOLYLPYRROLONES AND 1,2,4-THIADIAZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-26 US claimed
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-12 US claimed
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-31 US claimed
EP-3558975-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
EP-3558986-A1 SUBSTITUTED 1,2,4-THIADIAZOLYL PYRROLONES AND 1,2,4-THIADIAZOLYL HYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
US-5158959-A Treatment of hypertension HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-27 US claimed
EP-0204571-B1 SELECTED DIFLUORO DERIVATIVES ICI AMERICAS INC. (US) 1992-01-22 EP claimed
EP-0391188-A1 Fungicide agents based on partly known nitro substituted benzothiazolones, new nitro substituted benzothiazolones and process for their preparation BAYER AG (DE) 1990-10-10 EP claimed
EP-0152759-B1 AMINOISOTHIAZOLE COMPOUNDS BASF Aktiengesellschaft (DE) 1989-08-23 EP claimed
EP-0150034-B1 DERIVATIVES OF 2-AMINOTHIOPHENE BASF Aktiengesellschaft (DE) 1989-08-02 EP claimed
US-4785116-A Aminoisothiazole compounds BASF AKTIENGESELLSCHAFT (DE) 1988-11-15 US claimed
US-4716162-A BRAIN FUNCTION SANKYO COMPANY, LIMITED (JP) 1987-12-29 US claimed
US-4315855-A Monoazo disperse dyes containing a nitrophenyl group and a homophthalimide group BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US claimed
US-4150240-A Method for preparing d-penicillamine and salts thereof TAISHO PHARMACEUTICAL CO., LTD. (JP) 1979-04-17 US claimed
US-3956326-A AZO DYE BASF AKTIENGESELLSCHAFT (DT) 1976-05-11 US claimed

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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS ALDH1A1 201/4885LMNA 3862/4885CYP3A4 135/4885
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES DDT, HPD, PAH ALDH1A1 401/4885LMNA 4592/4885CYP3A4 158/4885
US-20200095241-A1 SUBSTITUTED 1,2,4-THIADIAZOLYLPYRROLONES AND 1,2,4-THIADIAZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDES DDT, HPD, PAH ALDH1A1 129/4885LMNA 4782/4885CYP3A4 267/4885
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES AGPS, AASDHPPT, HPD ALDH1A1 215/4885LMNA 4727/4885CYP3A4 317/4885

“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.