SCHEMBL22045233

SCHEMBL22045233

COc1ccc(COc2cc3cc(F)cc(F)c3nc2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CSF1R P07333 5/20 0.46
NTRK1 P04629 1/20 0.46
NTRK3 Q16288 1/20 0.46
NTRK2 Q16620 1/20 0.46
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 2/20 0.41
APP P05067 3/20 0.40
POLB P06746 1/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL21988979 0.89 NPC1 (0.47) NPC1RAB9ACSF1RNTRK1NTRK3
SCHEMBL21988930 0.84 CYP3A4 (0.44) NPC1RAB9ACSF1RNTRK1NTRK3
SCHEMBL21988922 0.82 NPC1 (0.53) NPC1RAB9ACSF1RNTRK1NTRK3
SCHEMBL21988985 0.80 NPC1 (0.47) NPC1RAB9ACSF1RNTRK1NTRK3
SCHEMBL30046214 0.78 MAOB (0.47) NPC1RAB9ACSF1RNTRK1NTRK3
SCHEMBL21988876 0.77 NPC1 (0.47) NPC1RAB9ACSF1RNTRK1NTRK3
SCHEMBL25806788 0.77 NPC1 (0.42) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL21988650 0.77 NPC1 (0.49) NPC1RAB9ACSF1RNTRK1NTRK3
SCHEMBL22045269 0.76 GRM5 (0.50) RAB9ALMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL21988703 0.75 NPC1 (0.50) NPC1RAB9ACSF1RNTRK1NTRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12103921-B2 Chemical compounds PFIZER INC. (US) 2024-10-01 US disclosed
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 US disclosed
US-20220348555-A1 Chemical Compounds PFIZER INC. (US) 2022-11-03 US disclosed
US-11014908-B2 Chemical compounds PFIZER INC. (US) 2021-05-25 US disclosed
US-20200172512-A1 Chemical Compounds PFIZER INC. (US) 2020-06-04 US disclosed
WO-2020109994-A1 PYRAZOLES AS MODULATORS OF HEMOGLOBIN PFIZER INC. (US) 2020-06-04 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 (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-20200172512-A1 Chemical Compounds HBZ, HBB, HBS1L NPC1 2812/4885RAB9A 1684/4885CSF1R 2914/4885
US-11702405-B2 Chemical compounds HBZ, HBB, HBS1L NPC1 2812/4885RAB9A 1684/4885CSF1R 2914/4885
US-20230382892-A1 Chemical Compounds HBZ, HBB, HBS1L NPC1 2812/4885RAB9A 1684/4885CSF1R 2914/4885
US-12103921-B2 Chemical compounds HBZ, HBB, HBS1L NPC1 2812/4885RAB9A 1684/4885CSF1R 2914/4885
US-11014908-B2 Chemical compounds HBZ, HBB, HBS1L NPC1 2812/4885RAB9A 1684/4885CSF1R 2914/4885
US-20220348555-A1 Chemical Compounds HBZ, HBB, HBS1L NPC1 2812/4885RAB9A 1684/4885CSF1R 2914/4885

“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.