SCHEMBL21594899

SCHEMBL21594899

O=C(NCCCCl)Nc1ccc(CO)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.54
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
EPHX1 P07099 4/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.45

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
SCHEMBL29348883 0.82 CNR1 (0.60) CNR1MAPTALDH1A1KMT2ARAB9A
SCHEMBL10192080 0.82 ALDH1A1 (0.64) CNR1EPHX1ALDH1A1CYP1A2CYP3A4
SCHEMBL4624732 0.82 FOLH1 (0.52) CNR1HDAC1HDAC6EPHX1MAPT
SCHEMBL2234743 0.81 EPHX1 (0.68) CNR1HDAC1HDAC6EPHX1KDM4E
SCHEMBL17841795 0.81 EPHX1 (0.70) HDAC1EPHX1MAPTLMNAALDH1A1
SCHEMBL18843562 0.78 HDAC1 (0.57) HDAC1HDAC6EPHX1MAPTKDM4E
SCHEMBL6689486 0.78 CNR1 (0.59) CNR1EPHX1KDM4EALDH1A1CYP1A2
SCHEMBL20681685 0.78 MEN1 (0.68) CNR1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL10642896 0.78 CNR1 (0.63) CNR1EPHX1MAPTKDM4ELMNA
SCHEMBL13724331 0.78 GHSR (0.51) CNR1EPHX1KDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421273-B2 Ectonucleotidase inhibitors and methods of use thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2025-09-23 US disclosed
US-20240132533-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENT THERAPEUTICS LIMITED (CN) 2024-04-25 US disclosed
CN-112888696-B Exonuclease inhibitors and methods of use thereof 德琪医疗有限公司 2024-04-16 CN disclosed
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof ANTENGENT THERAPEUTICS LIMITED (CN) 2024-01-02 US disclosed
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof ANTENGENT THERAPEUTICS LIMITED (CN) 2024-01-02 US disclosed
US-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2023-01-26 US disclosed
US-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2023-01-26 US disclosed
US-11078228-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-08-03 US disclosed
US-11078228-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-08-03 US disclosed
CN-112888696-A Exonucleotidase inhibitors and methods of use thereof 卡利泰拉生物科技公司 2021-06-01 CN disclosed
EP-3810617-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF Calithera Biosciences, Inc. (US) 2021-04-28 EP disclosed
US-20190389899-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2019-12-26 US disclosed
US-20190389899-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2019-12-26 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 (6 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-20240132533-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 CNR1 254/4885HDAC1 3062/4885HDAC6 1711/4885
US-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 CNR1 254/4885HDAC1 3062/4885HDAC6 1711/4885
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 CNR1 254/4885HDAC1 3062/4885HDAC6 1711/4885
US-12421273-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 CNR1 254/4885HDAC1 3062/4885HDAC6 1711/4885
US-20190389899-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 CNR1 254/4885HDAC1 3062/4885HDAC6 1711/4885
US-11078228-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 CNR1 254/4885HDAC1 3062/4885HDAC6 1711/4885

“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.