SCHEMBL22075717

SCHEMBL22075717

O=[N+]([O-])c1cnc(OCc2ccccc2)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 5/20 0.54
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CYP19A1 P11511 1/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ GABRP O00591 1/20 0.44
▸ GABRD O14764 1/20 0.44
▸ GABRA1 P14867 1/20 0.44
▸ GABRB1 P18505 1/20 0.44
▸ GABRG2 P18507 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ GABRA2 P47869 1/20 0.44
▸ GABRB2 P47870 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
SCHEMBL13424637 0.83 PIN1 (0.61) PIN1MEN1KMT2ANPC1RAB9A
SCHEMBL30692500 0.80 MAPT (0.52) PIN1MEN1KMT2ANPC1RAB9A
SCHEMBL3235424 0.79 BACE1 (0.59) MEN1KMT2ANPC1RAB9AATM
SCHEMBL30692492 0.79 MAPT (0.51) PIN1MEN1KMT2ANPC1RAB9A
SCHEMBL9005400 0.78 CTSV (0.53) PIN1MEN1KMT2ACYP19A1CYP11B1
SCHEMBL22075603 0.76 GABRP (0.48) RAB9ACYP19A1CYP11B1CYP11B2MAPT
SCHEMBL1734030 0.75 BACE1 (0.55) MEN1KMT2ANPC1RAB9AATM
SCHEMBL3351038 0.75 PIN1 (0.49) PIN1MEN1KMT2ANPC1RAB9A
SCHEMBL13308320 0.75 PIN1 (0.49) PIN1MEN1KMT2ANPC1RAB9A
SCHEMBL27601306 0.75 CTSV (0.51) PIN1MEN1KMT2ACYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3894416-B1 FERROPORTIN INHIBITORS AND METHODS OF USE GLOBAL BLOOD THERAPEUTICS INC (US) 2022-11-09 — — EP disclosed
EP-3894416-B1 FERROPORTIN INHIBITORS AND METHODS OF USE GLOBAL BLOOD THERAPEUTICS INC (US) 2022-11-09 — — EP disclosed
US-11286243-B2 Ferroportin inhibitors and methods of use GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-03-29 — — US disclosed
EP-3894416-A1 FERROPORTIN INHIBITORS AND METHODS OF USE Global Blood Therapeutics, Inc. (US) 2021-10-20 — — EP disclosed
WO-2020123850-A1 FERROPORTIN INHIBITORS AND METHODS OF USE GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-06-18 — — WO disclosed
US-20200190045-A1 FERROPORTIN INHIBITORS AND METHODS OF USE GLOBAL BLOOD THERAPEUTICS, INC. 2020-06-18 — — US disclosed
US-20200190045-A1 FERROPORTIN INHIBITORS AND METHODS OF USE GLOBAL BLOOD THERAPEUTICS, INC. 2020-06-18 — — US disclosed
WO-2020123850-A1 FERROPORTIN INHIBITORS AND METHODS OF USE GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-06-18 — — 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 (2 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-11286243-B2 Ferroportin inhibitors and methods of use SLC40A1, HAMP, SFXN1 PIN1 1518/4885MEN1 321/4885KMT2A 4244/4885
US-20200190045-A1 FERROPORTIN INHIBITORS AND METHODS OF USE SLC40A1, HAMP, TFRC PIN1 1014/4885MEN1 775/4885KMT2A 4285/4885

“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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