SCHEMBL2891503

SCHEMBL2891503

O=C(Cl)NN1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
LIPE Q05469 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL7430647 1.00 HTT (0.45) HTTLIPEL3MBTL1LMNAPOLB
SCHEMBL364908 0.97
SCHEMBL5010340 0.80 L3MBTL3 (0.45) L3MBTL1ALDH1A1KDM4ECYP3A4
Hydrochloric Acid SCHEMBL6202425 0.78 L3MBTL3 (0.44) L3MBTL1ALDH1A1KDM4ECYP3A4
SCHEMBL21798768 0.78 HTT (0.48) HTTLIPEL3MBTL1LMNAPOLB
SCHEMBL28385713 0.77 CA12 (0.35) HTT
SCHEMBL34638 0.76 HTT (0.52) HTTLIPEL3MBTL1LMNAPOLB
SCHEMBL3158910 0.76 HTT (0.47) HTTLIPEL3MBTL1LMNAPOLB
SCHEMBL9727085 0.76 HTT (0.52) HTTLIPEL3MBTL1LMNAPOLB
SCHEMBL365772 0.75 EPHX2 (0.53) HTTLIPEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 EP disclosed
EP-3533785-B1 PENTAMETHYLENE DIISOCYANATE PRODUCTION METHOD MITSUI CHEMICALS INC (JP) 2023-11-29 EP disclosed
CN-109415307-B Process for producing pentamethylene diisocyanate 三井化学株式会社 2021-06-04 CN disclosed
US-20210113534-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2021-04-22 US disclosed
EP-3628045-A1 COMPOUNDS The University Of Sheffield (GB) 2020-04-01 EP disclosed
CN-110891951-A Compound (I) 谢菲尔德大学 2020-03-17 CN disclosed
US-10238677-B2 Treatment of filarial diseases LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2019-03-26 US disclosed
CN-109415307-A The manufacturing method of pentamethylene diisocyanate 三井化学株式会社 2019-03-01 CN disclosed
WO-2018211275-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2018-11-22 WO disclosed
US-10072040-B2 Tylosin A analogs and derivatives ABBVIE INC. (US) 2018-09-11 US disclosed
US-4507291-A Arthropod repellents ROHM AND HAAS COMPANY (US) 1985-03-26 US disclosed
US-4451278-A 1-Hydroxyanthraquinone aquatic herbicide GAF CORPORATION (US) 1984-05-29 US disclosed
US-4405630-A AZASPIRO COMPOUNDS ROHM AND HAAS COMPANY (US) 1983-09-20 US disclosed
US-4400512-A INSECT REPELLENTS ROHM AND HAAS COMPANY (US) 1983-08-23 US disclosed
US-4374991-A INSECT REPELLENTS ROHM AND HAAS COMPANY (US) 1983-02-22 US disclosed
US-4357471-A INSECT REPELLENTS ROHM AND HAAS COMPANY (US) 1982-11-02 US disclosed
US-4252943-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1981-02-24 US disclosed
US-4217359-A HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1980-08-12 US disclosed
US-4101571-A REACTING SULFAMIC ACIDS WITH PHOSGENE BASF AKTIENGESELLSCHAFT (DE) 1978-07-18 US disclosed
US-3947594-A 4-Halo-1-hydroxyanthraquinone containing fungicidal composition GAF CORPORATION (US) 1976-03-30 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 (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-10238677-B2 Treatment of filarial diseases LTA, PPT1, LTA4H HTT 342/4885LIPE 174/4885L3MBTL1 316/4885
US-20210113534-A1 COMPOUNDS MRGPRX2, MC2R, ADM2 HTT 4017/4885LIPE 1893/4885L3MBTL1 3736/4885
US-10072040-B2 Tylosin A analogs and derivatives TXLNA, TMSB4X, TMSB10 HTT 5/4885LIPE 508/4885L3MBTL1 2258/4885

“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.