SCHEMBL2071192

SCHEMBL2071192

CCOC(=O)Nc1ccc(N)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 4/20 0.53
GAA P10253 3/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 1/20 0.49
DPP4 P27487 1/20 0.49
HTT P42858 1/20 0.49
EGFR P00533 3/20 0.47
KDR P35968 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL2070769 0.89 ALDH1A1 (0.52) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL2071884 0.86 GAA (0.59) CYP1A2SMN1; SMN2MAPTGAANPC1
SCHEMBL11451154 0.83 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL2069644 0.83 SMN1; SMN2 (0.73) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL16592515 0.83 GAA (0.59) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL9524227 0.82 NPC1 (0.56) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL5972454 0.82 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL2072406 0.82 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL656064 0.82 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19SMN1; SMN2GAA
SCHEMBL9116458 0.81 RECQL (0.53) CYP1A2CYP2C9CYP2C19SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906537-B2 Substituted p-diaminobenzene derivatives H. LUNDBECK A/S (DK) 2011-03-15 US disclosed
US-20100061928-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2010-03-11 US disclosed
US-20060183791-A1 Substituted p-diaminobenzene derivatives H. LUNDBECK A/S (DK) 2006-08-17 US disclosed
CN-1761464-A Substituted p-diaminobenzene derivatives LUNDBECK & CO AS H (DK) 2006-04-19 CN disclosed
EP-1613303-A1 SUBSTITUTED P-DIAMINOBENZENE DERIVATIVES H. Lundbeck A/S (DK) 2006-01-11 EP disclosed
WO-2004082677-A1 SUBSTITUTED P-DIAMINOBENZENE DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-30 WO 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-20060183791-A1 Substituted p-diaminobenzene derivatives ABCB1, UGT2B7, CYP2D6 CYP1A2 20/4885CYP2C9 25/4885CYP2C19 11/4885
US-20100061928-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS HRH3, H1-3, HRH4 CYP1A2 1084/4885CYP2C9 1455/4885CYP2C19 1060/4885

“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.