SCHEMBL4869090

SCHEMBL4869090

NCCCCn1ccc2ccccc21

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.81
CCND1 P24385 4/20 0.81
LMNA P02545 1/20 0.56
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
P2RX7 Q99572 1/20 0.51
ABCB1 P08183 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HTR6 P50406 1/20 0.49
MAPK1 P28482 1/20 0.47

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
SCHEMBL5989829 0.98 CDK4 (0.82) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL9703488 0.98 CDK4 (0.82) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL135070 0.94 CDK4 (0.78) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL1120445 0.86 CDK4 (0.76) CDK4CCND1LMNAHTR2AHTR2C
Hydrochloric Acid SCHEMBL6258190 0.85 CDK4 (0.73) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL28616424 0.84 CDK4 (0.82) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL20378423 0.82 HTT (0.61) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL11366447 0.82 CDK4 (1.00) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL8656866 0.81 CDK4 (0.81) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL3477752 0.81 CDK4 (0.81) CDK4CCND1LMNAHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1229082-A Amine compound and its acid addition salt ROUSSEL UCLAF (FR) 1999-09-22 CN claimed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP claimed
CN-1151746-A Novel erythromycin derivatives, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1997-06-11 CN claimed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-20050009764-A1 Pyridyl substituted ketolide antibiotics CHIRON CORPORATION (US) 2005-01-13 US disclosed
US-6756359-B2 ADMINISTERING A 14 MEMBERED MACROLIDE AND KETOLIDE ANTIBIOTICS CONTAINING C12 MODIFICATIONS TO A PATIENT SUFFERING FROM BACTERIAL INFECTIONS CHIRON CORPORATION 2004-06-29 US disclosed
US-6100404-A Erythromycin compounds HOECHST MARION ROUSSEL (FR) 2000-08-08 US disclosed
US-5990094-A SEROTONIN N-ACETYLTRANSFERASE INHIBITORS WHICH CAN SERVE AS BIOLOGICAL TOOLS THAT HELP REVEAL BIOLOGICAL FUNCTIONS FOR MELATONIN AND PINEAL SEROTONIN IN VIVO; ACETYL-COA N-ACETYL TRYPTAMINE DERIVATIVES OF GIVEN STRUCTURE THE ROCKEFELLER UNIVERSITY (US) 1999-11-23 US disclosed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP disclosed
US-5635485-A Erythromycin compounds ROUSSEL UCLAF (FR) 1997-06-03 US disclosed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 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-20050009764-A1 Pyridyl substituted ketolide antibiotics PKLR, KHK, PGD CDK4 455/4885CCND1 1536/4885LMNA 1015/4885

“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.