SCHEMBL6868530

SCHEMBL6868530

COC(=O)c1cc(OCc2ccccc2)c2cc[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
LMNA P02545 2/20 0.55
SMPD1 P17405 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PPIA P62937 1/20 0.43
PTGER1 P34995 1/20 0.43

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
SCHEMBL20515877 0.87 MEN1 (0.52) HPGDSMN1; SMN2ALDH1A1PTGER1SRD5A2
SCHEMBL2962999 0.83 CREBBP (0.44) NPC1MAPTTSHRL3MBTL1KDM4E
SCHEMBL18009394 0.81 HPGD (0.55) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL3567460 0.80 TUBB4A (0.49) HPGDRAB9ANPC1MAPTCYP3A4
SCHEMBL20975261 0.80 HPGD (0.60) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL16015342 0.79 LMNA (0.67) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL2338199 0.79 HPGD (0.76) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL28448203 0.79 HPGD (0.71) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL27483603 0.79 BRD4 (0.50) HPGDSMN1; SMN2ALDH1A1PTGER1L3MBTL1
SCHEMBL27483602 0.78 SMN1; SMN2 (0.47) HPGDSMN1; SMN2MAPTCYP2C9CYP2C19

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-1280796-B1 PYRIMIDINYL METHYL INDOLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2004-03-24 EP disclosed
US-6703397-B2 REACTING A NITRILE GROUP CONTAINING INDOLE DERIVEATIVE WITH GUANIDINE OR SALT; USEFUL AS PROHYLAXIS OR THERAPEUTICAL TREATMENT OF INFECTIOUS DISEASES BASILEA PHARMACEUTICA AG (CH) 2004-03-09 US disclosed
US-20030119857-A1 Pyrimidinyl methyl indole derivatives with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-06-26 US disclosed
EP-1280796-A1 PYRIMIDINYL METHYL INDOLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2003-02-05 EP disclosed
WO-2001083474-A1 PYRIMIDINYL METHYL INDOLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2001-11-08 WO disclosed
US-4229464-A Aminopropanol substituted indole compounds and compositions for the treatment of cardiac and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1980-10-21 US disclosed
US-4152446-A Aminopropanol compounds and compositions for the treatment of cardiac and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1979-05-01 US disclosed
US-4076829-A Aminopropanol compounds and compositions for the treatment of cardiac and circulatory diseases BOEHRINGER MANNHEIM GMBH (DT) 1978-02-28 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-20030119857-A1 Pyrimidinyl methyl indole derivatives with antibacterial activity IDO1, IDO2, AANAT HPGD 1619/4885LMNA 4705/4885SMPD1 257/4885

“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.