SCHEMBL12995209

SCHEMBL12995209

CCOc1ccc2c(-c3ccc(Cl)cc3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPC1 O15118 1/20 0.37
CYP2D6 P10635 1/20 0.37
RAB9A P51151 1/20 0.37
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
CMKLR1 Q99788 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
SCHEMBL12995327 0.95 AURKA (0.38) AURKATAS1R3TAS1R1MEN1KMT2A
SCHEMBL12995207 0.92 NPSR1 (0.40) MEN1KMT2AHPGDSMN1; SMN2CYP1A2
SCHEMBL12994960 0.91 NPC1 (0.40) MEN1KMT2AHPGDSMN1; SMN2CYP1A2
SCHEMBL12995213 0.90 KDM1A (0.40) MEN1KMT2AHPGDSMN1; SMN2CYP1A2
SCHEMBL12995206 0.90 TP53 (0.37) MEN1KMT2AHPGDSMN1; SMN2CYP1A2
SCHEMBL12996984 0.88 RAB9A (0.39) TAS1R3TAS1R1MEN1KMT2AHPGD
SCHEMBL12995091 0.87 RAB9A (0.40) MEN1KMT2AHPGDSMN1; SMN2CYP1A2
SCHEMBL14467703 0.87 TP53 (0.39) MEN1KMT2AHPGDSMN1; SMN2CYP1A2
SCHEMBL12995325 0.87 ALDH1A1 (0.38) MEN1KMT2ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL12995485 0.87 NPC1 (0.52) TAS1R3TAS1R1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 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 (2 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS AURKA 4459/4885TAS1R3 3417/4885TAS1R1 3865/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS AURKA 4459/4885TAS1R3 3417/4885TAS1R1 3865/4885

“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.