SCHEMBL3528811

SCHEMBL3528811

O=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N(CCN1CCCCC1)CC2

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
MCHR1 Q99705 3/20 0.43
SLC22A2 O15244 8/20 0.42
HTR2C P28335 2/20 0.41
LIPG Q9Y5X9 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3525978 0.92 KMT2A (0.47) MAPTSLC22A2
SCHEMBL2184805 0.89 SLC22A2 (0.44) MAPTSLC22A2LIPGSMN1; SMN2
SCHEMBL3524314 0.88 LMNA (0.47) MAPTSLC22A2
SCHEMBL3520763 0.86 TP53 (0.49) SLC22A2
SCHEMBL82568 0.86 LIPG (0.46) MAPTSLC22A2LIPGSMN1; SMN2
SCHEMBL22482699 0.86 MAPT (0.44) MAPTSLC22A2LIPGSMN1; SMN2
SCHEMBL2187466 0.86 LIPG (0.44) MAPTSLC22A2LIPGSMN1; SMN2
SCHEMBL2187383 0.85 MAPT (0.43) MAPTSLC22A2LIPGSMN1; SMN2
SCHEMBL2237584 0.85 KMT2A (0.48) MAPTSLC22A2LIPG
SCHEMBL3528935 0.85 MAPT (0.43) MAPTSLC22A2LIPGRXFP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1950212-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE SHIONOGI & CO (JP) 2016-02-24 EP disclosed
US-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY YOSHIDA HIROSHI (JP) 2012-08-16 US disclosed
US-8188271-B2 Polycyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-05-29 US disclosed
US-7858788-B2 Bicyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2010-12-28 US disclosed
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity SHIONOGI & CO., LTD. (JP) 2009-06-04 US disclosed
EP-1950212-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE Shionogi Co., Ltd. (JP) 2008-07-30 EP disclosed
US-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2008-07-03 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 (3 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-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity NR4A1, HAT1, NR4A2 MAPT 4715/4885MCHR1 4576/4885SLC22A2 2858/4885
US-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY CDKN1A, CDK2, CDK2AP1 MAPT 2144/4885MCHR1 4674/4885SLC22A2 4007/4885
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity CDK20, CYP4A22, CDK10 MAPT 4110/4885MCHR1 2995/4885SLC22A2 503/4885

“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.