SCHEMBL196923

SCHEMBL196923

O=C(C=Cc1ccccc1Cl)c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 1.00
LMNA P02545 4/20 1.00
ALDH1A1 P00352 3/20 1.00
KMT2A Q03164 2/20 1.00
HPGD P15428 1/20 1.00
KDM4E B2RXH2 1/20 0.73
PKM P14618 1/20 0.73
CYP1A1 P04798 6/20 0.65
CYP1A2 P05177 6/20 0.65
CYP1B1 Q16678 6/20 0.65
CYP3A4 P08684 5/20 0.65
CYP2D6 P10635 5/20 0.65
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
HSP90AA1 P07900 2/20 0.60
MEN1 O00255 1/20 0.60
CAPN1 P07384 1/20 0.55
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55

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
SCHEMBL196922 1.00 MAPT (1.00) MAPTLMNAALDH1A1KMT2AHPGD
SCHEMBL3597959 0.84 MAPT (0.72) MAPTLMNAALDH1A1KMT2AHPGD
SCHEMBL3597965 0.84 MAPT (0.72) MAPTLMNAALDH1A1KMT2AHPGD
SCHEMBL4908405 0.82 MAPT (0.78) MAPTLMNAALDH1A1KMT2AHPGD
SCHEMBL11318820 0.82 MAPT (0.78) MAPTLMNAALDH1A1KMT2AHPGD
SCHEMBL4908401 0.82 MAPT (0.78) MAPTLMNAALDH1A1KMT2AHPGD
SCHEMBL30477506 0.82 MAPT (0.78) MAPTLMNAALDH1A1KMT2AHPGD
SCHEMBL9567804 0.82 MAPT (0.70) MAPTLMNAALDH1A1KMT2AHPGD
SCHEMBL3583225 0.79 MAPT (0.65) MAPTLMNAALDH1A1KMT2AHPGD
SCHEMBL3583222 0.79 MAPT (0.65) MAPTLMNAALDH1A1KMT2AHPGD

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-2167058-B1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES UNIV LOUISVILLE RES FOUND (US) 2015-08-12 EP 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
US-8088385-B2 PFKB3 inhibitor for the treatment of a proliferative cancer UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION INC. (US) 2012-01-03 US disclosed
EP-2167058-A2 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES University Of Louisville Research Foundation, Inc. (US) 2010-03-31 EP disclosed
US-20090074884-A1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. 2009-03-19 US disclosed
WO-2008156783-A2 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2008-12-24 WO 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-20120177749-A1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES PFKFB3, PFKFB2, PFKFB1 MAPT 3600/4885LMNA 4024/4885ALDH1A1 3105/4885
US-20090074884-A1 FAMILY OF PFKFB3 INHIBITORS WITH ANTI-NEOPLASTIC ACTIVITIES PFKFB3, PFKFB2, PFKFB1 MAPT 3600/4885LMNA 4024/4885ALDH1A1 3105/4885

“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.