SCHEMBL7152014

SCHEMBL7152014

[CH2]CCc1nc(-c2ccc(Cl)cc2)no1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.68
NOTUM Q6P988 2/20 0.66
TSHR P16473 3/20 0.64
ALDH1A1 P00352 3/20 0.62
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP1A2 P05177 3/20 0.57
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
POLB P06746 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 2/20 0.55
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
CYP3A4 P08684 1/20 0.54

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
SCHEMBL18040200 0.86 NOTUM (0.70) SIRT2NOTUMTSHRALDH1A1TDP1
SCHEMBL28869605 0.85 SIRT2 (0.69) SIRT2NOTUMTSHRALDH1A1TDP1
SCHEMBL14735989 0.83 NOTUM (0.76) SIRT2NOTUMTSHRALDH1A1TDP1
SCHEMBL28869626 0.82 SIRT2 (0.75) SIRT2NOTUMTSHRALDH1A1TDP1
SCHEMBL7149557 0.81 SMN1; SMN2 (0.60) TSHRL3MBTL1CYP1A2NPC1RAB9A
SCHEMBL507782 0.81 NOTUM (0.72) SIRT2NOTUMTSHRALDH1A1TDP1
SCHEMBL7148635 0.80 SIRT2 (0.70) SIRT2TSHRALDH1A1TDP1L3MBTL1
SCHEMBL20029259 0.80 SIRT2 (0.91) SIRT2NOTUMTSHRALDH1A1TDP1
SCHEMBL102014 0.80 SIRT2 (0.62) SIRT2NOTUMTSHRALDH1A1TDP1
SCHEMBL12434474 0.79 NOTUM (0.70) SIRT2NOTUMTSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952157-B1 9A, 11B-Dehydro derivatives of 9-oxime-3-keto-6-0-methylerythromycin PFIZER PROD INC (US) 2003-06-18 EP claimed
US-6482801-B2 THERAPY FOR BACTERIAL OR PROTOZOA INFECTIONS PFIZER INC. 2002-11-19 US claimed
US-20010016574-A1 9a,11b-dehydro derivatives of 9-oxime-3-keto-6-O- methylerythromycin WU YONG-JIN (US) 2001-08-23 US claimed
US-6262030-B1 Erythromycin derivatives PFIZER INC. 2001-07-17 US claimed
US-6248719-B1 Tricyclic 3-keto derivatives of 6-O-methylerthromycin PFIZER INC 2001-06-19 US claimed
WO-1999062920-A1 TRICYCLIC 3-KETO DERIVATIVES OF 6-O-METHYLERYTHROMYCIN PFIZER PRODUCTS INC. (US) 1999-12-09 WO claimed
EP-0952157-A1 9A, 11B-Dehydro derivatives of 9-oxime-3-keto-6-0-methylerythromycin Pfizer Products Inc. (US) 1999-10-27 EP claimed
EP-0952157-B1 9A, 11B-Dehydro derivatives of 9-oxime-3-keto-6-0-methylerythromycin PFIZER PROD INC (US) 2003-06-18 EP disclosed
US-6482801-B2 THERAPY FOR BACTERIAL OR PROTOZOA INFECTIONS PFIZER INC. 2002-11-19 US disclosed
US-20010016574-A1 9a,11b-dehydro derivatives of 9-oxime-3-keto-6-O- methylerythromycin WU YONG-JIN (US) 2001-08-23 US disclosed
US-6262030-B1 Erythromycin derivatives PFIZER INC. 2001-07-17 US disclosed
US-6248719-B1 Tricyclic 3-keto derivatives of 6-O-methylerthromycin PFIZER INC 2001-06-19 US disclosed
WO-1999062920-A1 TRICYCLIC 3-KETO DERIVATIVES OF 6-O-METHYLERYTHROMYCIN PFIZER PRODUCTS INC. (US) 1999-12-09 WO disclosed
EP-0952157-A1 9A, 11B-Dehydro derivatives of 9-oxime-3-keto-6-0-methylerythromycin Pfizer Products Inc. (US) 1999-10-27 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 (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-20010016574-A1 9a,11b-dehydro derivatives of 9-oxime-3-keto-6-O- methylerythromycin CYP7A1, HSD17B7, CYP51A1 SIRT2 2070/4885NOTUM 3094/4885TSHR 3121/4885

“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.