SCHEMBL10275506

SCHEMBL10275506

Cc1ccc(C=CC(=O)c2ccc3ccccc3n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
ALDH1A1 P00352 2/20 0.59
CYP3A4 P08684 1/20 0.59
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 6/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
RECQL P46063 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP1B1 Q16678 1/20 0.51
HDAC8 Q9BY41 2/20 0.49
CNR2 P34972 1/20 0.49
MGAM O43451 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48

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
SCHEMBL10275352 0.88 MGAM (0.59) MAPTALDH1A1CYP3A4HPGDSMN1; SMN2
SCHEMBL10275051 0.87 KMT2A (0.58) MAPTALDH1A1CYP3A4HPGDSMN1; SMN2
SCHEMBL5101889 0.86 CYP3A4 (0.55) MAPTALDH1A1CYP3A4HPGDMEN1
SCHEMBL10275214 0.84 CYP3A4 (0.59) CYP3A4MEN1KMT2ACYP1A2CYP2D6
SCHEMBL15284971 0.84 CYP1A1 (0.59) MAPTALDH1A1CYP3A4HPGDMEN1
SCHEMBL27784008 0.81 MAPT (0.56) MAPTALDH1A1CYP3A4HPGDMEN1
SCHEMBL3683565 0.80 KMT2A (0.47) MAPTSMN1; SMN2MEN1KMT2ACYP1B1
SCHEMBL3694391 0.80 KMT2A (0.47) MAPTSMN1; SMN2MEN1KMT2ACYP1B1
SCHEMBL10275201 0.80 MAPT (0.55) MAPTALDH1A1CYP3A4HPGDSMN1; SMN2
SCHEMBL10275132 0.79 MAPT (0.57) MAPTALDH1A1CYP3A4HPGDSMN1; 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
US-8557823-B2 Family of PFKFB3 inhibitors with anti-neoplastic activities ADVANCED CANCER THERAPEUTICS, LLC (US) 2013-10-15 US claimed
US-20230312728-A1 Methods and Compositions for Diabetes Treatment and Beta-Cell Regeneration THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-05 US disclosed
EP-4200016-A1 METHODS AND COMPOSITIONS FOR DIABETES TREATMENT AND BETA-CELL REGENERATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-28 EP disclosed
WO-2022040161-A1 METHODS AND COMPOSITIONS FOR DIABETES TREATMENT AND BETA-CELL REGENERATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-02-24 WO disclosed
WO-2017208174-A2 METHODS OF TREATING DISEASE WITH PFKFB3 INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-12-07 WO disclosed
US-8557823-B2 Family of PFKFB3 inhibitors with anti-neoplastic activities ADVANCED CANCER THERAPEUTICS, LLC (US) 2013-10-15 US disclosed
US-20120177749-A1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2012-07-12 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 (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-20120177749-A1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES PFKFB3, PFKFB2, PFKFB1 MAPT 3600/4885ALDH1A1 3105/4885CYP3A4 4440/4885

“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.