SCHEMBL6787637

SCHEMBL6787637

Fc1ccc(-c2cnc(N3CCNCC3)nc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.54
HTR1A P08908 3/20 0.54
HTR2B P41595 2/20 0.54
HTR6 P50406 2/20 0.54
ACVR1 Q04771 1/20 0.50
ALDH1A1 P00352 9/20 0.49
CYP1A2 P05177 8/20 0.49
CASP1 P29466 7/20 0.49
CASP7 P55210 7/20 0.49
CYP3A4 P08684 7/20 0.49
HSD17B10 Q99714 7/20 0.49
USP2 O75604 6/20 0.49
HIF1A Q16665 6/20 0.49
CYP2C9 P11712 6/20 0.49
CYP2C19 P33261 5/20 0.49
TSHR P16473 4/20 0.49
GLA P06280 2/20 0.49
HTR1D P28221 1/20 0.49
HTR3A P46098 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49

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
Hydrochloric Acid SCHEMBL20293632 0.98 HTR7 (0.52) HTR7HTR1AHTR2BHTR6ACVR1
Hydrochloric Acid SCHEMBL6786943 0.98 HTR7 (0.52) HTR7HTR1AHTR2BHTR6ACVR1
SCHEMBL4582837 0.83 HTR1A (0.54) HTR7HTR1AHTR2BHTR6ACVR1
SCHEMBL9400849 0.83 HTR3A (0.54) HTR7HTR1AHTR2BHTR6ALDH1A1
SCHEMBL4582832 0.83 TAAR1 (0.49) ACVR1ALDH1A1CYP1A2CASP1CASP7
SCHEMBL9400977 0.83 TAAR1 (0.64) HTR7HTR1AHTR2BHTR6ACVR1
SCHEMBL6785729 0.83 ADRB1 (0.49) HTR1AALDH1A1HTR1DHTR3ATAAR1
SCHEMBL2274356 0.82 ALDH1A1 (0.59) HTR7HTR1AHTR2BHTR6ALDH1A1
Hydrochloric Acid SCHEMBL20293649 0.82 HTR3A (0.52) HTR7HTR1AHTR2BHTR6ALDH1A1
SCHEMBL12911528 0.82 GPR119 (0.58) HTR7HTR1AHTR2BHTR6ACVR1

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 HTR7 2875/4885HTR1A 3193/4885HTR2B 3970/4885
US-20030216404-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 HTR7 2875/4885HTR1A 3193/4885HTR2B 3970/4885
US-20040266764-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 HTR7 2875/4885HTR1A 3193/4885HTR2B 3970/4885

“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.