Sugi Predict

Sugi Predict / Compounds / SCHEMBL3960135

SCHEMBL3960135

SCHEMBL3960135

Cc1nc2cc(OCC3CO3)ccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.49
▸ TP53 P04637 4/20 0.49
▸ TSHR P16473 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ FGFR1 P11362 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ GAA P10253 2/20 0.41
▸ PKM P14618 3/20 0.41
▸ NPC1 O15118 2/20 0.41

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
SCHEMBL3960133 1.00 PDE10A (0.51) PDE10AALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL5901373 1.00 PDE10A (0.51) PDE10AALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL5227730 0.89 TDP1 (0.51) ALDH1A1TP53TSHRSMN1; SMN2HIF1A
SCHEMBL5901372 0.87 PDE10A (0.49) PDE10AALDH1A1TP53SMN1; SMN2CYP3A4
SCHEMBL5993543 0.87 PDE10A (0.49) PDE10AALDH1A1TP53SMN1; SMN2CYP3A4
SCHEMBL6256411 0.84 PDE10A (0.44) PDE10AALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL6286661 0.82 ALDH1A1 (0.44) PDE10AALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL6256409 0.82 PDE10A (0.42) PDE10AALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL5228972 0.80 FGFR1 (0.50) ALDH1A1TP53TSHRSMN1; SMN2HIF1A
SCHEMBL5901698 0.80 FGFR1 (0.50) ALDH1A1TP53TSHRSMN1; SMN2HIF1A

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601721-B2 Substituted heterocyclic compounds GILEAD PALO ALTO, INC. (US) 2009-10-13 — — US disclosed
EP-1806346-B1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS INC (US) 2009-07-22 — — EP disclosed
US-20090054457-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2009-02-26 — — US disclosed
US-20090054457-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2009-02-26 — — US disclosed
US-7452889-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-11-18 — — US disclosed
US-7452889-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-11-18 — — US disclosed
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 — — US disclosed
US-20080070927-A1 Substituted Heterocyclic Compounds ZABLOCKI JEFF 2008-03-20 — — US disclosed
US-20080032993-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2008-02-07 — — US disclosed
US-20080032993-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2008-02-07 — — US disclosed
US-20030176447-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2003-09-18 — — US disclosed
EP-1339701-A1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2003-09-03 — — EP disclosed
US-6573264-B1 Protecting skeletal muscles against damage, treating shock conditions, preserving donor tissue and organs used in transplants, treating cardiovascular diseases CV THERAPEUTICS, INC. 2003-06-03 — — US disclosed
WO-2003008411-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2003-01-30 — — WO disclosed
WO-2002064576-A1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2002-08-22 — — WO disclosed
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 — — US disclosed
WO-2000006082-A2 TREATMENT OF ANXIETY DISORDERS ELI LILLY AND COMPANY (US) 2000-02-10 — — WO disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 — — WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 — — EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 — — EP 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 (4 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-20030176447-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP PDE10A 385/4885ALDH1A1 308/4885TP53 3474/4885
US-20080070927-A1 Substituted Heterocyclic Compounds KCNJ2, KCNH1, KCNJ1 PDE10A 362/4885ALDH1A1 276/4885TP53 2567/4885
US-20080032993-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A PDE10A 330/4885ALDH1A1 167/4885TP53 3351/4885
US-20090054457-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A PDE10A 330/4885ALDH1A1 167/4885TP53 3351/4885

“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.