SCHEMBL839577

SCHEMBL839577

Clc1ccccc1-n1nnc2c(Cl)ncnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
HPGD P15428 4/20 0.39
TSHR P16473 3/20 0.39
SLC2A1 P11166 1/20 0.38
SLC2A2 P11168 1/20 0.38
SLC2A3 P11169 1/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
PKM P14618 2/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KCNN4 O15554 2/20 0.37
BCHE P06276 1/20 0.36
MAPT P10636 1/20 0.35
NOTUM Q6P988 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
SCHEMBL838439 0.85 PI4KA (0.43) ALDH1A1HPGDTSHRSLC2A1SLC2A2
SCHEMBL4928544 0.81 ALDH1A1 (0.56) ALDH1A1HPGDTSHRSLC2A1SLC2A2
SCHEMBL21138500 0.74 POLB (0.39) ALDH1A1HPGDTSHRHSD17B10NPC1
SCHEMBL5472860 0.73 PI4KA (0.49) SLC2A1SLC2A2SLC2A3LMNA
SCHEMBL839210 0.72 GCK (0.47) ALDH1A1TSHRSLC2A1SLC2A2SLC2A3
SCHEMBL4146059 0.72 HCAR1 (0.45) ALDH1A1SLC2A1LMNAHTTMAPT
SCHEMBL4923637 0.72 ALDH1A1 (0.69) ALDH1A1HPGDTSHRHSD17B10TP53
SCHEMBL5474281 0.69 KDM4E (0.45) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL4922738 0.69 ALDH1A1 (0.64) ALDH1A1HPGDTSHRPKMKDM4E
SCHEMBL5407919 0.68 CNR1 (0.62)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220025221-A1 LATENTLY REACTIVE ADHESIVE FILM TESA SE (DE) 2022-01-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO disclosed
US-20070197559-A1 Aryl substituted purine analogues NEUROGEN CORPORATION 2007-08-23 US disclosed
US-20070197559-A1 Aryl substituted purine analogues NEUROGEN CORPORATION 2007-08-23 US disclosed
US-20070197559-A1 Aryl substituted purine analogues NEUROGEN CORPORATION 2007-08-23 US disclosed
WO-2007080109-A1 SUBSTITUDED BENZYLOXY-PHENYLMETHYLUREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed
US-7160848-B2 Polymers and laundry detergent compositions containing them UNILEVER HOME & PERSONAL CARE USA DIVISION OF CONOPCO, INC. (US) 2007-01-09 US disclosed
EP-1720877-A2 ARYL SUBSTITUTED PURINE ANALOGUES Neurogen Corporation (US) 2006-11-15 EP disclosed
WO-2005084401-A2 ARYL SUBSTITUTED PURINE ANALOGUES NEUROGEN CORPORATION (US) 2005-09-15 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-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 ALDH1A1 1918/4885HPGD 694/4885TSHR 1264/4885
US-20070197559-A1 Aryl substituted purine analogues ADORA2A, GART, P2RX7 ALDH1A1 569/4885HPGD 975/4885TSHR 218/4885

“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.