SCHEMBL4900862

SCHEMBL4900862

COC(=O)Nc1nc2c(C)cccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.52
MAOB P27338 2/20 0.52
HPSE Q9Y251 2/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 5/20 0.48
CYP1A2 P05177 4/20 0.48
HIF1A Q16665 4/20 0.48
KDR P35968 2/20 0.48
ABCC4 O15439 1/20 0.48
USP2 O75604 1/20 0.48
ABL1 P00519 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL3413861 0.86 HPSE (0.55) ADORA2AMAOBHPSEMAPTALDH1A1
Hydrochloric Acid SCHEMBL11576683 0.85 HPSE (0.53) ADORA2AMAOBHPSEMAPTALDH1A1
SCHEMBL28260212 0.84 ADORA2A (0.51) ADORA2AMAOBMAPTALDH1A1SMN1; SMN2
SCHEMBL11850373 0.84 ADORA2A (0.65) ADORA2AMAOBMAPTALDH1A1SMN1; SMN2
SCHEMBL4364877 0.83 ADORA2A (0.50) ADORA2AMAOBMAPTALDH1A1SMN1; SMN2
Phosphoric Acid SCHEMBL11576943 0.81 MAOB (0.51) ADORA2AMAOBHPSEMAPTALDH1A1
Sulfuric Acid SCHEMBL11575852 0.81 HPSE (0.50) ADORA2AMAOBHPSEMAPTALDH1A1
SCHEMBL6689576 0.81 ADORA2A (0.48) ADORA2AMAOBMAPTALDH1A1SMN1; SMN2
SCHEMBL11703118 0.80 MAOB (0.71) ADORA2AMAOBHPSESMN1; SMN2KDM4E
Nitric Acid SCHEMBL11577224 0.79 MGAM (0.48) ADORA2AMAOBHPSEMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080138385-A1 Antibacterial Composition, Antibacterial Molding, Solution Containing Antibacterial Composition, Detergent, Surface of Tatami Mat and Tatami Mat IDEMITSU TECHNOFINE CO., LTD. (JP) 2008-06-12 US disclosed
EP-1779727-A1 ANTIBACTERIAL COMPOSITION, ANTIBACTERIAL MOLDING, SOLUTION CONTAINING ANTIBACTERIAL COMPOSITION, DETERGENT, SURFACE OF TATAMI MAT AND TATAMI MAT Idemitsu Technofine Co. Ltd (JP) 2007-05-02 EP disclosed
US-4581434-A USING DIFUNCTION COUPLING MEMBER TO LINK PESTICIDE TO A POLYETHER BAYER AKTIENGESELLSCHAFT (DE) 1986-04-08 US disclosed
US-4245105-A SYSTEMIC FUNGICIDES, ANTISPORULANTS AND STERILIZERS OF ACARIDAE EGGS SYRACUSE UNIVERSITY RESEARCH CORPORATION (US) 1981-01-13 US disclosed
US-4087537-A SYSTEMIC FUNGICIDES, SPORICIDES, STERILIZERS OF ACARIDAE EGGS SYRACUSE UNIVERSITY RESEARCH CORPORATION (US) 1978-05-02 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 (1 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-20080138385-A1 Antibacterial Composition, Antibacterial Molding, Solution Containing Antibacterial Composition, Detergent, Surface of Tatami Mat and Tatami Mat TPMT, KAT5, CARM1 ADORA2A 4496/4885MAOB 1863/4885HPSE 4130/4885

“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.