Urea

Urea

SCHEMBL1838296

CCCC1CCCCC1.NC(N)=O.NC(N)=O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.46
ALOX5 P09917 2/20 0.45
HSD11B1 P28845 1/20 0.43
HPGD P15428 1/20 0.42
METAP1 P53582 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
EPHX1 P07099 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40

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
Bicarbonate SCHEMBL6897174 0.88 CYP1A2 (0.56) CYP1A2CYP2C9HSD11B1HPGDEPHX1
Butylcyclohexane SCHEMBL1838223 0.87 CYP1A2 (0.75) CYP1A2ALOX5HPGDSIGMAR1LMNA
Thiourea SCHEMBL11805440 0.86 CYP1A2 (0.54) CYP1A2CYP2C9ALOX5METAP1SIGMAR1
SCHEMBL10430530 0.86 CYP1A2 (0.54) CYP1A2CYP2C9HSD11B1HPGDEPHX1
Bicarbonate SCHEMBL10453091 0.86 CYP1A2 (0.52) CYP1A2CYP2C9HSD11B1HPGDALDH1A1
Urea SCHEMBL1840735 0.85 CYP1A2 (0.65) CYP1A2SIGMAR1LMNAEPHX1
SCHEMBL11726232 0.85 CYP1A2 (0.70) CYP1A2HSD11B1SIGMAR1NOS3NOS1
SCHEMBL7741556 0.85 CYP1A2 (0.70) CYP1A2HSD11B1SIGMAR1NOS3NOS1
SCHEMBL3633846 0.85 CYP1A2 (0.70) CYP1A2HSD11B1SIGMAR1NOS3NOS1
SCHEMBL905661 0.85 CYP1A2 (0.70) CYP1A2HSD11B1SIGMAR1NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322504-B9 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2017-09-06 EP disclosed
EP-2322504-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2016-09-28 EP disclosed
US-9249090-B2 N-substituted carbamic acid ester production method and isocyanate production method using the N-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-02-02 US disclosed
US-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-02-05 US disclosed
US-8884047-B2 N-substituted carbamic acid ester production method and isocyanate production method using the N-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-11-11 US disclosed
CN-103097348-A Process for producing carbonyl compounds ASAHI KASEI CHEMICALS CORP (JP) 2013-05-08 CN disclosed
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-30 US disclosed
EP-2322504-A1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2011-05-18 EP 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-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH CYP1A2 121/4885CYP2C9 102/4885ALOX5 227/4885
US-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH CYP1A2 121/4885CYP2C9 102/4885ALOX5 227/4885

“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.