SCHEMBL6782503

SCHEMBL6782503

Clc1ccc(-c2cnc(-c3ccncc3)nc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.54
PDGFRA P16234 2/20 0.54
RAB9A P51151 9/20 0.50
NPC1 O15118 8/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDR P35968 1/20 0.50
GCGR P47871 1/20 0.50
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
LSS P48449 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL28119259 0.89 NPC1 (0.60) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL12786341 0.89 NPC1 (0.60) PDGFRBPDGFRARAB9ANPC1SMN1; SMN2
SCHEMBL775333 0.87 NPC1 (0.61) PDGFRBPDGFRARAB9ANPC1SMN1; SMN2
SCHEMBL6986767 0.86 LMNA (0.47) PDGFRBPDGFRARAB9ANPC1SMN1; SMN2
SCHEMBL196861 0.82 GCGR (0.67) PDGFRBPDGFRARAB9ASMN1; SMN2MAPT
SCHEMBL9098509 0.80 NPC1 (0.80) PDGFRBPDGFRARAB9ANPC1SMN1; SMN2
SCHEMBL9099501 0.80 NPC1 (0.80) PDGFRBPDGFRARAB9ANPC1SMN1; SMN2
SCHEMBL9098395 0.80 NPC1 (0.80) PDGFRBPDGFRARAB9ANPC1SMN1; SMN2
SCHEMBL27550563 0.80 NPC1 (0.51) PDGFRBPDGFRARAB9ANPC1SMN1; SMN2
SCHEMBL14964814 0.79 SMN1; SMN2 (0.78) PDGFRBPDGFRARAB9ANPC1SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266764-A1 Hydroxamic acid derivatives HANNAH DUNCAN ROBERT 2004-12-30 US disclosed
US-6809100-B2 2-(4-(4-FURAN-2-YLPHENYL)PIPERAZINE-1-SULFONYLMETHYL)-N-HYDROXY -3-METHYLBUTYRAMIDE, FOR EXAMPLE; TREATMENT OF CANCER, INFLAMMATION, OR AN AUTOIMMUNE, INFECTIOUS OR OCULAR DISEASE DARWIN DISCOVERY LTD. (GB) 2004-10-26 US disclosed
US-6787536-B2 A HYDROXAMIC ACID COMPOUND CONTAINING HETEROAROMATIC RING ATTACHED TO SULFONYL GROUP THROUGH NITROGEN ATOM, INHIBITOR OF MATRIX METALLOPRETEINASE, USEFUL FOR TREATING DEGENERATIVE DISEASES AND CERTAIN CANCER DARWIN DISCOVERY LIMITED (GB) 2004-09-07 US disclosed
US-20030216404-A1 Hydroxamic acid derivatives HANNAH DUNCAN ROBERT (GB) 2003-11-20 US disclosed
EP-1282614-B1 HYDROXAMIC ACID DERIVATIVES DARWIN DISCOVERY LTD (GB) 2003-11-12 EP disclosed
EP-1282614-A1 HYDROXAMIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2003-02-12 EP disclosed
US-20020037900-A1 Hydroxamic acid derivatives DARWIN DISCOVERY LIMITED (GB) 2002-03-28 US disclosed
WO-2001087870-A1 HYDROXAMIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2001-11-22 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-20020037900-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 PDGFRB 1912/4885PDGFRA 1622/4885RAB9A 3312/4885
US-20030216404-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 PDGFRB 1912/4885PDGFRA 1622/4885RAB9A 3312/4885
US-20040266764-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 PDGFRB 1912/4885PDGFRA 1622/4885RAB9A 3312/4885

“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.