SCHEMBL17024865

SCHEMBL17024865

O=C(O)NCCc1nn[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
KDM6B O15054 1/20 0.47
KDM4A O75164 1/20 0.47
KDM5A P29375 1/20 0.47
EPHX2 P34913 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 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
SCHEMBL5840981 0.84 NAALAD2 (0.50) NAALAD2L3MBTL1ALDH1A1LMNAKDM6B
SCHEMBL5840984 0.84 KDM6B (0.50) NAALAD2L3MBTL1ALDH1A1LMNAKDM6B
SCHEMBL3051612 0.81 KDM6B (0.50) NAALAD2L3MBTL1ALDH1A1LMNAKDM6B
SCHEMBL17038775 0.81 L3MBTL1 (0.46) NAALAD2L3MBTL1ALDH1A1LMNAKDM6B
SCHEMBL1467959 0.76 NPSR1 (0.51) NAALAD2L3MBTL1ALDH1A1LMNAKDM6B
SCHEMBL19487325 0.76 NAALAD2 (0.43) NAALAD2L3MBTL1ALDH1A1LMNAKDM6B
SCHEMBL2433629 0.75 NAALAD2 (0.56) NAALAD2L3MBTL1ALDH1A1LMNAKDM6B
SCHEMBL5841190 0.73 EPHX2 (0.56) NAALAD2L3MBTL1ALDH1A1LMNAKDM6B
SCHEMBL5840689 0.71 L3MBTL1 (0.59) NAALAD2L3MBTL1ALDH1A1LMNAKDM6B
SCHEMBL3458244 0.71 ALDH1A1 (0.59) L3MBTL1ALDH1A1KDM6BKDM4AKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3877356-A1 BICYCLIC COMPOUNDS Vivace Therapeutics, Inc. (US) 2021-09-15 EP disclosed
US-10370394-B2 Carbamate, ester, and ketone compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-08-06 US disclosed
US-20170298085-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-10-19 US disclosed
US-9732103-B2 Carbamate, ester, and ketone compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
WO-2017035352-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed
EP-3110804-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS Achillion Pharmaceuticals, Inc. (US) 2017-01-04 EP disclosed
WO-2015130830-A9 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-06-23 WO disclosed
WO-2015130830-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 WO disclosed
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 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-10370394-B2 Carbamate, ester, and ketone compounds for treatment of complement mediated disorders CFD, C9, CFH NAALAD2 443/4885L3MBTL1 1693/4885ALDH1A1 2381/4885
US-20170298085-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, CFH NAALAD2 443/4885L3MBTL1 1693/4885ALDH1A1 2381/4885
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders CFD, C9, CFH NAALAD2 443/4885L3MBTL1 1693/4885ALDH1A1 2381/4885

“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.