SCHEMBL7101565

SCHEMBL7101565

[CH2]CCn1cnc(-c2ccccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ CCR1 P32246 3/20 0.47
▸ CCR5 P51681 3/20 0.47
▸ CCR8 P51685 3/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ METAP1 P53582 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ DOHH Q9BU89 1/20 0.47
▸ P4HTM Q9NXG6 1/20 0.47
▸ KDM4C Q9H3R0 8/20 0.43
▸ TP53 P04637 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL16034316 0.83 KDM5A (0.57) KDM4ELMNACCR1CCR5CCR8
SCHEMBL18579661 0.80 KDM5A (0.60) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4865471 0.79 PDE10A (0.49) KDM4ELMNAKDM4CALDH1A1TDP1
SCHEMBL18579509 0.78 KDM2B (0.62) KDM4ELMNACCR1CCR5CCR8
SCHEMBL18579672 0.76 KDM4C (0.67) KDM4CKDM5AKDM5BKDM4AKDM2B
SCHEMBL18579812 0.76 KDM4C (0.67) KDM4CNPC1RAB9AKDM5AKDM5B
SCHEMBL18579569 0.76 KDM5B (0.62) KDM4CSMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL18579762 0.76 KDM5A (0.67) KDM4EKDM4CSMN1; SMN2ALDH1A1NPC1
SCHEMBL16534860 0.75 GRM5 (0.49) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7100927 0.75 CYP2E1 (0.44) KDM4CKDM5AKDM5BKDM4AKDM2B

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
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
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

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 KDM4E 209/4885LMNA 3343/4885CCR1 829/4885

“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.

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