SCHEMBL873583

SCHEMBL873583

Cc1nc(CC(=O)O)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 4/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 1/20 0.38
GABRR1 P24046 1/20 0.36
TSHR P16473 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
PKM P14618 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
MITF O75030 1/20 0.33
HTT P42858 1/20 0.33
MDM2 Q00987 1/20 0.33

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
SCHEMBL12646123 0.83 POLB (0.42) POLBALDH1A1KDM4EHPGDRAB9A
SCHEMBL18214725 0.82 HTT (0.50) POLBALDH1A1KDM4EHPGDRAB9A
SCHEMBL12472912 0.76 CYP1A2 (0.39) CYP1A2ALDH1A1KDM4EHPGDRAB9A
SCHEMBL2211570 0.75 CYP1A2 (0.42) POLBCYP1A2ALDH1A1LMNAGABRR1
SCHEMBL1686950 0.75 CYP1A2 (0.52) POLBCYP1A2ALDH1A1HPGDRAB9A
SCHEMBL874320 0.75 CYP1A2 (0.38) POLBCYP1A2ALDH1A1LMNAMAPT
SCHEMBL878583 0.75 ADORA2A (0.40) POLBCYP1A2HPGDLMNAMAPT
SCHEMBL11528858 0.73 CYP1A2 (0.41) POLBCYP1A2LMNA
SCHEMBL26110384 0.72 MAPT (0.41) POLBALDH1A1KDM4EHPGDRAB9A
SCHEMBL28015485 0.72 ALPL (0.49) POLBCYP1A2ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
WO-2007064553-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-07 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 (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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D POLB 3240/4885CYP1A2 1223/4885ALDH1A1 1228/4885
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CX3CR1 POLB 4297/4885CYP1A2 3367/4885ALDH1A1 952/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D POLB 3240/4885CYP1A2 1223/4885ALDH1A1 1228/4885

“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.