SCHEMBL14485151

SCHEMBL14485151

CC(C)(C)OC(=O)COc1ccnc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 2/20 0.41
▸ PSEN2 P49810 2/20 0.41
▸ APH1B Q8WW43 2/20 0.41
▸ NCSTN Q92542 2/20 0.41
▸ APH1A Q96BI3 2/20 0.41
▸ PSENEN Q9NZ42 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ATR Q13535 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ CNR1 P21554 1/20 0.38

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
SCHEMBL15540674 0.83 PTGS2 (0.50) MAPTLMNACYP2C9CYP2C19KDM4E
SCHEMBL17645209 0.82 AR (0.45) POLBALDH1A1MCL1RECQLP2RX3
SCHEMBL17987851 0.81 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17645416 0.80 MCL1 (0.40) MAPTLMNAPOLBKDM4EALDH1A1
SCHEMBL25248872 0.80 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22639174 0.78 PPARG (0.33) MAPTLMNAPOLBALDH1A1P2RX3
SCHEMBL30225325 0.78 CA12 (0.55) CYP2C19ATR
SCHEMBL17687915 0.78 CA12 (0.55) CYP2C19ATR
SCHEMBL17024452 0.78 LMNA (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14484808 0.78 MCL1 (0.54) MAPTLMNAALDH1A1KMT2AMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 — — US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 — — US disclosed
US-10828288-B2 Hydrazone derivatives for the treatment of cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-11-10 — — US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-20180000806-A1 HYDRAZONE DERIVATIVES FOR THE TREATMENT OF CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-01-04 — — US disclosed
US-20180000806-A1 HYDRAZONE DERIVATIVES FOR THE TREATMENT OF CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-01-04 — — US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 — — US disclosed
WO-2016123253-A1 HYDRAZNE DERIVATIVES FOR THE TREATMENT OF CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-08-04 — — WO disclosed
WO-2016123253-A1 HYDRAZNE DERIVATIVES FOR THE TREATMENT OF CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-08-04 — — WO disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 — — EP disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 — — US disclosed
EP-2729448-A1 COMPOUNDS FOR THE TREATMENT OF HIV Gilead Sciences, Inc. (US) 2014-05-14 — — EP disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 — — 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 (8 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN PSEN1 792/4885PSEN2 1971/4885APH1B 1963/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN PSEN1 792/4885PSEN2 1971/4885APH1B 1963/4885
US-20180000806-A1 HYDRAZONE DERIVATIVES FOR THE TREATMENT OF CANCER H1-3, H1-5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PSEN1 4654/4885PSEN2 4755/4885APH1B 4448/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN PSEN1 792/4885PSEN2 1971/4885APH1B 1963/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PSEN1 792/4885PSEN2 1971/4885APH1B 1963/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PSEN1 792/4885PSEN2 1971/4885APH1B 1963/4885
US-10828288-B2 Hydrazone derivatives for the treatment of cancer H1-3, H1-5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PSEN1 4654/4885PSEN2 4755/4885APH1B 4448/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PSEN1 792/4885PSEN2 1971/4885APH1B 1963/4885

“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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