SCHEMBL2800972

SCHEMBL2800972

Oc1ccccc1-c1nnc(S)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HPGD P15428 6/20 0.50
▸ PKM P14618 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ TTR P02766 1/20 0.46
▸ CASP3 P42574 3/20 0.46
▸ SENP8 Q96LD8 3/20 0.46
▸ SENP7 Q9BQF6 3/20 0.46
▸ SENP6 Q9GZR1 3/20 0.46
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ BACE1 P56817 1/20 0.44

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
SCHEMBL9737555 0.86 NPC1 (0.64) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL31415090 0.82 NPC1 (0.37) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL29188883 0.82 NPC1 (0.37) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL27634857 0.81 ALDH1A1 (0.56) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL13297698 0.78 KDM6B (0.47) ALDH1A1KDM4ENPC1HSD17B10HPGD
SCHEMBL14112946 0.77 RAB9A (0.74) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL7729357 0.77 NPC1 (0.59) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL14112950 0.77 NPC1 (0.51) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL6450028 0.77 RAB9A (0.69) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL9059010 0.77 NPC1 (0.74) ALDH1A1KDM4ENPC1RAB9AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104854150-A Activator compositions, their preparation, and their use in catalysts ALBEMARLE CORP 2015-08-19 — — CN disclosed
CN-104292224-A Benzothiazole amide derivatives containing substituted 1,3,4-thiadiazole (oxadiazole) thioether as well as preparation method and application of derivatives UNIV GUIZHOU 2015-01-21 — — CN disclosed
US-20100190832-A1 Mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and structural templates NATIONAL INSTITUTE OF IMMUNOLOGY. 2010-07-29 — — US disclosed
US-20100190832-A1 Mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and structural templates NATIONAL INSTITUTE OF IMMUNOLOGY. 2010-07-29 — — US disclosed
US-20100190832-A1 Mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and structural templates NATIONAL INSTITUTE OF IMMUNOLOGY. 2010-07-29 — — US disclosed
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 — — US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 — — US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 — — US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 — — US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 — — US 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 (1 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-20100190832-A1 Mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and structural templates TTR, TPR, POT1 ALDH1A1 2468/4885KDM4E 678/4885NPC1 1595/4885

“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.

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