SCHEMBL2619306

SCHEMBL2619306

CCCc1ccnc(CC)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
NOS2 P35228 2/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
SREBF2 Q12772 5/20 0.37
SREBF1 P36956 1/20 0.37
PRKCI P41743 1/20 0.36
MAP4K4 O95819 1/20 0.36
LNPEP Q9UIQ6 1/20 0.35
TYMS P04818 1/20 0.35
TLR8 Q9NR97 1/20 0.35

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
SCHEMBL487201 0.89 KDM4E (0.56) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL2619307 0.88 CYP1A2 (0.44) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL31190151 0.86 LNPEP (0.47) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL218290 0.84 NOS3 (0.61) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL2554060 0.83 KDM4E (0.47) KDM4ELMNACYP3A4TSHRNOS2
SCHEMBL5102581 0.83 KDM4E (0.47) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL27652628 0.83 POLB (0.44) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL10066451 0.83 NOS3 (0.55) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL11563922 0.82 NOS3 (0.59) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL2553622 0.82 CYP3A4 (0.46) KDM4ELMNACYP3A4TSHRLNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3324977-B1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-07-13 EP disclosed
US-9249142-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-02-02 US disclosed
US-20150105418-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-04-16 US disclosed
US-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-01 US disclosed
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-5670526-A ANTIINFLAMMATORY AGENT, IMMUNOSUPPRESSANT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 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 (6 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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 CYP1A2 1353/4885POLB 578/4885KDM4E 769/4885
US-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 CYP1A2 2003/4885POLB 1000/4885KDM4E 404/4885
US-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 CYP1A2 1215/4885POLB 441/4885KDM4E 902/4885
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 CYP1A2 1503/4885POLB 438/4885KDM4E 883/4885
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 CYP1A2 1836/4885POLB 467/4885KDM4E 756/4885
US-20150105418-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 CYP1A2 1215/4885POLB 441/4885KDM4E 902/4885

“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.