SCHEMBL731073

SCHEMBL731073

[CH2]CCn1ncc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.62
KMO O15229 1/20 0.60
RECQL P46063 2/20 0.58
DAO P14920 1/20 0.50
P2RX7 Q99572 1/20 0.47
ADRA2A P08913 1/20 0.45
POLB P06746 3/20 0.43
HSD17B10 Q99714 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL731911 0.89 CYP1A2 (0.58) CYP1A2KMORECQLDAOP2RX7
SCHEMBL730640 0.84 RECQL (0.61) CYP1A2KMORECQLDAOP2RX7
SCHEMBL27997802 0.82 RECQL (0.65) CYP1A2KMORECQLDAOP2RX7
SCHEMBL29947768 0.81 CYP1A2 (0.62) CYP1A2KMORECQLDAOP2RX7
SCHEMBL20083661 0.81 CYP1A2 (0.62) CYP1A2KMORECQLDAOP2RX7
SCHEMBL20083802 0.81 CYP1A2 (0.62) CYP1A2KMORECQLDAOP2RX7
SCHEMBL29487638 0.81 CYP1A2 (0.62) CYP1A2KMORECQLDAOP2RX7
SCHEMBL5565705 0.81 CYP1A2 (0.62) CYP1A2KMORECQLDAOP2RX7
SCHEMBL20083662 0.81 CYP1A2 (0.62) CYP1A2KMORECQLDAOP2RX7
SCHEMBL31429458 0.81 KMO (0.65) CYP1A2KMORECQLDAOP2RX7

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 41 patents — showing the first 20. 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-2212328-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF CHOONGWAE PHARMA CORP (KR) 2017-01-25 EP disclosed
CN-103539797-B Compounds of reverse turn mimetics and uses thereof JW PHARMACEUTICAL CORPORATION (KR) 2016-05-18 CN disclosed
EP-2212330-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) CHOONGWAE PHARMA CORP (KR) 2015-04-08 EP disclosed
EP-2212329-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORP (KR) 2014-07-30 EP disclosed
CN-101827850-B Novel compounds of reverse turn mimetics and use thereof (2) CHOONGWAE PHARM CO 2014-03-12 CN disclosed
CN-103539797-A Novel compounds of reverse turn mimetics and the use thereof JW PHARMACEUTICAL CORP 2014-01-29 CN disclosed
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 CYP1A2 40/4885KMO 145/4885RECQL 812/4885

“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.