SCHEMBL12091027

SCHEMBL12091027

Cc1nc2cc(-c3ccccc3)nn2c(-c2ccc3c(c2)OCCO3)c1C(OC(C)(C)C)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.63
▸ ALDH1A1 P00352 5/20 0.48
▸ LMNA P02545 4/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ CYP3A4 P08684 1/20 0.45
▸ MAPT P10636 4/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ PSIP1 O75475 1/20 0.39
▸ ABCB1 P08183 2/20 0.38
▸ FYN P06241 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ABCG2 Q9UNQ0 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
SCHEMBL470492 0.97 NR1I2 (0.66) NR1I2ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL470258 0.96 NR1I2 (0.62) NR1I2ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL470388 0.91 NR1I2 (0.63) NR1I2ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL12091046 0.89 NR1I2 (0.68) NR1I2ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL12091025 0.88 NR1I2 (0.66) NR1I2ALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL12090950 0.86 NR1I2 (0.61) NR1I2ALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL461476 0.86 NR1I2 (0.63) NR1I2ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL10174452 0.86 NR1I2 (0.62) NR1I2ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL10174794 0.85 NR1I2 (0.60) NR1I2ALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL470358 0.85 NR1I2 (0.64) NR1I2ALDH1A1KDM4ESMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 — — US disclosed
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 — — US disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 — — US disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 — — US 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 (1 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-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS NR1I2 3085/4885ALDH1A1 3327/4885LMNA 3885/4885

“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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