SCHEMBL8625816

SCHEMBL8625816

C=CCOCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
LMNA P02545 3/20 0.37
RAB9A P51151 1/20 0.37
ERN1 O75460 1/20 0.36
IDO1 P14902 2/20 0.36
TSHR P16473 3/20 0.35
VCAM1 P19320 1/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL823906 0.84 TSHR (0.53) LMNARAB9ATSHRTDP1SMN1; SMN2
SCHEMBL7076638 0.76 CYP19A1 (0.48) CYP19A1LMNATSHRVCAM1POLB
SCHEMBL14337755 0.74 F2RL3 (0.42) CYP19A1LMNAIDO1TSHRVCAM1
SCHEMBL11273785 0.74 CYP19A1 (0.50) CYP19A1LMNAIDO1TSHRVCAM1
SCHEMBL10015973 0.73 MAPT (0.44) CYP19A1RAB9APOLBCYP3A4SMN1; SMN2
SCHEMBL29080392 0.73 CYP19A1 (0.45) CYP19A1LMNARAB9ATSHRVCAM1
SCHEMBL7005138 0.73 CYP19A1 (0.45) CYP19A1LMNAERN1IDO1TSHR
SCHEMBL26343368 0.72 SMN1; SMN2 (0.42) CYP19A1RAB9ACYP3A4SMN1; SMN2HTT
SCHEMBL3055585 0.72 TDP1 (0.44) LMNARAB9AIDO1TSHRPOLB
SCHEMBL10352515 0.72 ALDH1A1 (0.45) CYP19A1LMNARAB9AIDO1POLB

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-20240425518-A1 N-MACROCYCLIC AMIDE COMPOUNDS, PREPARATION METHODS THEREOF AND APPLICATIONS THEREOF AS MEDICAMENTS CHENGDU FANXI BIOPHARMA CO., LTD. (CN) 2024-12-26 US disclosed
US-20200297724-A1 COVALENT INHIBITORS OF CDK-7 NEWAVE PHARMACEUTICAL INC. 2020-09-24 US disclosed
US-10456397-B2 Covalent inhibitors of CDK-7 NEWAVE PHARMACEUTICAL INC. (US) 2019-10-29 US disclosed
US-20190151316-A1 COVALENT INHIBITORS OF CDK-7 NEWAVE PHARMACEUTICAL LLC 2019-05-23 US disclosed
US-10195200-B2 Covalent inhibitors of CDK-7 NEWAVE PHARMACEUTICAL INC. (US) 2019-02-05 US disclosed
US-20180008604-A1 COVALENT INHIBITORS OF CDK-7 NEWAVE PHARMACEUTICAL LLC 2018-01-11 US disclosed
WO-2008060248-A1 INDOLE SUSTITUTED PYRIMIDINES AND USE THEREOF IN THE TREATMENT OF CANCER S*BIO PTE LTD. (SG) 2008-05-22 WO disclosed
EP-0635533-B1 Polyimide-based liquid crystal aligning agent SAGAMI CHEM RES (JP) 1998-06-10 EP disclosed
EP-0452725-B1 Fluorine containing diaminobenzene derivatives and its use SAGAMI CHEM RES (JP) 1995-11-08 EP disclosed
EP-0635533-A1 Polyimide-based liquid crystal aligning agent SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-01-25 EP disclosed
US-5153304-A Polyimides; liquid crystal tilting agent; water-repelling SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-10-06 US disclosed
US-5144078-A Polyimide intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-09-01 US disclosed
EP-0452725-A2 Fluorine containing diaminobenzene derivatives and its use SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-23 EP 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-10456397-B2 Covalent inhibitors of CDK-7 CDK7, CDKL1, CDK1 CYP19A1 589/4885LMNA 2960/4885RAB9A 1484/4885
US-20240425518-A1 N-MACROCYCLIC AMIDE COMPOUNDS, PREPARATION METHODS THEREOF AND APPLICATIONS THEREOF AS MEDICAMENTS ZYX, MLX, LPXN CYP19A1 321/4885LMNA 138/4885RAB9A 3749/4885
US-20190151316-A1 COVALENT INHIBITORS OF CDK-7 CDK7, CDKL1, CDK1 CYP19A1 589/4885LMNA 2960/4885RAB9A 1484/4885
US-20200297724-A1 COVALENT INHIBITORS OF CDK-7 CDK7, CDKL1, CDK1 CYP19A1 589/4885LMNA 2960/4885RAB9A 1484/4885
US-20180008604-A1 COVALENT INHIBITORS OF CDK-7 CDK7, CDKL1, CDK1 CYP19A1 589/4885LMNA 2960/4885RAB9A 1484/4885
US-10195200-B2 Covalent inhibitors of CDK-7 CDK7, CDKL1, CDK1 CYP19A1 589/4885LMNA 2960/4885RAB9A 1484/4885

“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.