SCHEMBL20304007

SCHEMBL20304007

COc1ccc([N+](=O)[O-])cc1OCCCN1CCC(C)(C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ MAPT P10636 5/20 0.48
▸ HPGD P15428 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.44
▸ LMNA P02545 2/20 0.44
▸ DRD4 P21917 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HTR2C P28335 3/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ HTR2B P41595 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL5469381 0.90 HTR2C (0.52) SMN1; SMN2MAPTHPGDNPC1RAB9A
SCHEMBL18788160 0.85 HRH3 (0.56) SMN1; SMN2MAPTHPGDNPC1RAB9A
SCHEMBL5105861 0.84 ALDH1A1 (0.58) SMN1; SMN2MAPTHPGDNPC1RAB9A
SCHEMBL12448366 0.82 KMT2A (0.60) SMN1; SMN2MAPTHPGDNPC1RAB9A
SCHEMBL5258701 0.81 MCHR1 (0.49) SMN1; SMN2MAPTHPGDNPC1RAB9A
SCHEMBL1929880 0.81 LTA4H (0.57) SMN1; SMN2MAPTHPGDNPC1RAB9A
SCHEMBL4192478 0.80 LTA4H (0.56) SMN1; SMN2MAPTHPGDNPC1RAB9A
SCHEMBL5476571 0.80 LTA4H (0.56) SMN1; SMN2MAPTHPGDNPC1RAB9A
SCHEMBL1928086 0.80 HRH3 (0.56) SMN1; SMN2MAPTHPGDNPC1RAB9A
SCHEMBL12448363 0.79 ALDH1A1 (0.58) SMN1; SMN2MAPTHPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4063358-B1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2024-05-22 — — EP disclosed
US-11713299-B2 Histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-08-01 — — US disclosed
EP-4063358-A1 HISTONE METHYLTRANSFERASE INHIBITORS Global Blood Therapeutics, Inc. (US) 2022-09-28 — — EP disclosed
EP-3558971-B1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2022-02-23 — — EP disclosed
US-20210107876-A1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2021-04-15 — — US disclosed
US-10829452-B2 Histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-11-10 — — US disclosed
EP-3558971-A1 HISTONE METHYLTRANSFERASE INHIBITORS Global Blood Therapeutics, Inc. (US) 2019-10-30 — — EP disclosed
US-20180186745-A1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-07-05 — — US disclosed
WO-2018119208-A1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-06-28 — — 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 (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-20180186745-A1 HISTONE METHYLTRANSFERASE INHIBITORS EHMT1, EHMT2, EZH2 SMN1; SMN2 262/4885MAPT 2541/4885HPGD 3327/4885
US-10829452-B2 Histone methyltransferase inhibitors EHMT1, DOT1L, EHMT2 SMN1; SMN2 196/4885MAPT 2956/4885HPGD 4650/4885
US-20210107876-A1 HISTONE METHYLTRANSFERASE INHIBITORS EHMT1, EHMT2, EZH2 SMN1; SMN2 262/4885MAPT 2541/4885HPGD 3327/4885
US-11713299-B2 Histone methyltransferase inhibitors EHMT1, DOT1L, EHMT2 SMN1; SMN2 242/4885MAPT 3132/4885HPGD 4589/4885

“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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